SCHEMBL637660

SCHEMBL637660

COc1ccc(CO)c2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.51
KDM4E B2RXH2 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 3/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
ALOX12 P18054 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 4/20 0.44
NSD2 O96028 2/20 0.44
CASP6 P55212 2/20 0.44
MAPT P10636 2/20 0.44
NFKB1 P19838 1/20 0.44
MPI P34949 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3142699 0.87 KDM4E (0.60) HTTKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL13462246 0.87 MAOA (0.49) HTTKDM4ESMN1; SMN2RAB9ANPC1
Hydrochloric Acid SCHEMBL640343 0.84 MAOA (0.47) HTTKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL1506959 0.82 HTR1A (0.53) HTTKDM4ENPC1GAAL3MBTL1
SCHEMBL28527656 0.81 PAX8 (0.55) HTTKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL11307415 0.80 KDM4E (0.75) HTTKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL10692355 0.80 MAOA (0.55) HTTKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL2224753 0.79 HSP90AA1 (0.62) HTTKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL13036181 0.77 KMT2A (0.50) HTTKDM4ESMN1; SMN2NPC1L3MBTL1
SCHEMBL9886094 0.77 MAOA (0.59) HTTKDM4ESMN1; SMN2RAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-02-12 US disclosed
EP-3424926-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINS, THEIR PRODUCTION AND UTILISATION AS MEDICINE Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2019-01-09 EP disclosed
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-10-11 US disclosed
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-07-17 US disclosed
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-03-01 US disclosed
CN-107674077-A 8 [base of 3 amino piperidine 1] Xanthine compounds, its preparation method and purposes as pharmaceutical preparation 勃林格殷格翰制药两合公司 2018-02-09 CN disclosed
CN-105001222-B 8 [base of 3 amino piperidine 1] Xanthine compounds, its preparation method and purposes as pharmaceutical preparation 勃林格殷格翰制药两合公司 2017-11-07 CN disclosed
US-20170081329-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2017-03-23 US disclosed
US-9556175-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and thier use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-31 US disclosed
US-20160194327-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2016-07-07 US disclosed
EP-1532149-B1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2009-12-30 EP disclosed
EP-2070539-A1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-06-17 EP disclosed
EP-2060573-A2 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-05-20 EP disclosed
EP-2058311-A2 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-05-13 EP disclosed
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-10-16 US disclosed
US-20080249089-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-10-09 US disclosed
US-7407955-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-08-05 US disclosed
EP-1532149-A2 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-25 EP disclosed
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-20 US disclosed
WO-2004018468-A2 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 HTT 3663/4885KDM4E 829/4885SMN1; SMN2 2325/4885
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 HTT 3460/4885KDM4E 779/4885SMN1; SMN2 1963/4885
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 HTT 3663/4885KDM4E 829/4885SMN1; SMN2 2325/4885
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 HTT 3663/4885KDM4E 829/4885SMN1; SMN2 2325/4885
US-20080249089-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 HTT 3460/4885KDM4E 779/4885SMN1; SMN2 1963/4885
US-20170081329-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 HTT 3663/4885KDM4E 829/4885SMN1; SMN2 2325/4885
US-20160194327-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 HTT 3663/4885KDM4E 829/4885SMN1; SMN2 2325/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 HTT 4106/4885KDM4E 1974/4885SMN1; SMN2 2910/4885
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 HTT 3663/4885KDM4E 829/4885SMN1; SMN2 2325/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.