SCHEMBL854631

SCHEMBL854631

CCc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.78
L3MBTL1 Q9Y468 7/20 0.78
RAB9A P51151 3/20 0.78
NPC1 O15118 2/20 0.78
MAPT P10636 12/20 0.72
ALDH1A1 P00352 9/20 0.72
ALOX12 P18054 8/20 0.72
TDP1 Q9NUW8 7/20 0.72
MAPK1 P28482 7/20 0.72
ALOX15 P16050 6/20 0.72
KDM4E B2RXH2 5/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
HTT P42858 2/20 0.69
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
HSD17B10 Q99714 2/20 0.65
HSP90AA1 P07900 1/20 0.65
HSP90AB1 P08238 1/20 0.65
TSHR P16473 1/20 0.65
GFER P55789 1/20 0.65

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
SCHEMBL178277 0.85 MAPT (0.60) GAAL3MBTL1RAB9ANPC1MAPT
SCHEMBL24197357 0.85 GAA (0.74) GAAL3MBTL1RAB9ANPC1MAPT
SCHEMBL14439034 0.84 L3MBTL1 (0.78) GAAL3MBTL1RAB9ANPC1MAPT
SCHEMBL30854988 0.84 L3MBTL1 (0.73) GAAL3MBTL1RAB9ANPC1MAPT
SCHEMBL16003056 0.84 MAPT (0.58) GAAL3MBTL1RAB9ANPC1MAPT
SCHEMBL30277579 0.83 RAB9A (0.69) GAAL3MBTL1RAB9ANPC1MAPT
SCHEMBL30855012 0.82 MAPT (0.89) GAAL3MBTL1RAB9ANPC1MAPT
SCHEMBL17131831 0.82 MAPT (1.00) GAAL3MBTL1RAB9ANPC1MAPT
SCHEMBL24197355 0.81 GAA (0.68) GAAL3MBTL1RAB9ANPC1MAPT
SCHEMBL4368142 0.80 GAA (0.62) GAAL3MBTL1RAB9ANPC1MAPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318140-B9 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-05-21 EP disclosed
CN-1474803-B Amide derivatives and their use for the preparation of medicaments MITSUBISHI TANABE PHARMA CORP 2012-11-21 CN disclosed
US-8198454-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US disclosed
EP-1308438-B9 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-28 EP disclosed
EP-1318140-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-05-18 EP disclosed
CN-102050758-A Novel amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORP 2011-05-11 CN disclosed
US-7855297-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-21 US disclosed
EP-1308438-B1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2010-10-20 EP disclosed
US-20100041656-A1 Novel amide derivatives and medicinal use thereof NAKAMURA MITSUBARU 2010-02-18 US disclosed
US-7105567-B2 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-12 US disclosed
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-15 US disclosed
CN-1474803-A Novel amide derivative and medical use thereof ������ҩ��ʽ���� 2004-02-11 CN disclosed
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-11-06 US disclosed
EP-1318140-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF UGS Mitsubishi Pharma Corporation (JP) 2003-06-11 EP disclosed
EP-1308438-A1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-07 EP 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 (3 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-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 GAA 3681/4885L3MBTL1 1480/4885RAB9A 2045/4885
US-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 GAA 3289/4885L3MBTL1 1629/4885RAB9A 1166/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S GAA 1702/4885L3MBTL1 1732/4885RAB9A 1330/4885

“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.