SCHEMBL4058388

SCHEMBL4058388

CC(=O)c1c(C)cccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.48
THRB P10828 2/20 0.46
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.42
PIK3CA P42336 1/20 0.42
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 1/20 0.39
BRPF1 P55201 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
BRD4 O60885 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38
PKM P14618 2/20 0.37
MYC P01106 1/20 0.37
DPP4 P27487 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL30590428 1.00 CD44 (0.48) CD44THRBCYP3A4TDP1TSHR
SCHEMBL9841111 0.86 THRB (0.54) CD44THRBCYP3A4TDP1TSHR
Hydrochloric Acid SCHEMBL7967074 0.84 THRB (0.52) CD44THRBCYP3A4TDP1TSHR
SCHEMBL696352 0.84 THRB (0.56) THRBTDP1TSHRHSD17B10L3MBTL1
SCHEMBL221626 0.83 TDP1 (0.52) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL689849 0.83 CD44 (0.48) CD44CYP3A4TDP1TSHRPIK3CA
Ammonia Solution, Strong SCHEMBL28175403 0.81 THRB (0.54) THRBTDP1TSHRHSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL7442929 0.81 TDP1 (0.50) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL7911668 0.81 CD44 (0.46) CD44CYP3A4TDP1TSHRPIK3CA
Acetaldehyde SCHEMBL28045568 0.80 TDP1 (0.46) CD44CYP3A4TDP1TSHRPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114308124-A Efficient catalyst for nitrogen fixation and preparation method and application thereof 杭州师范大学 2022-04-12 CN claimed
CN-105648440-B Liquid composition and the engraving method for using it 三菱瓦斯化学株式会社 2019-10-25 CN claimed
CN-117720476-A Ligand compound, rare earth supermolecule sensing material, sensing film, fluorescent probe, preparation method and application 包头稀土研究院 2024-03-19 CN disclosed
CN-114308124-A Efficient catalyst for nitrogen fixation and preparation method and application thereof 杭州师范大学 2022-04-12 CN disclosed
CN-105648440-B Liquid composition and the engraving method for using it 三菱瓦斯化学株式会社 2019-10-25 CN disclosed
EP-2119717-B1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors BOEHRINGER INGELHEIM INT (DE) 2018-01-17 EP disclosed
US-8697868-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-15 US disclosed
EP-2119717-A1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors Boehringer Ingelheim International GmbH (DE) 2009-11-18 EP disclosed
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
EP-1758905-B1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR BOEHRINGER INGELHEIM INT (DE) 2009-04-29 EP disclosed
US-7501426-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-10 US disclosed
EP-1758905-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR Boehringer Ingelheim International GmbH (DE) 2007-03-07 EP disclosed
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US disclosed
WO-2005085246-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DPP INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 WO disclosed
EP-1071426-A2 NOVEL COMPOUNDS AND THEIR USE AS POSITIVE AMPA RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2001-01-31 EP disclosed
WO-1999042456-A2 NOVEL COMPOUNDS AND THEIR USE AS POSITIVE AMPA RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1999-08-26 WO disclosed
US-RE31617-E ANTICOAGULANTS; HYPOTENSIVE AND BRONCHODILATOR AGENTS BRISTOL-MYERS COMPANY (US) 1984-06-26 US disclosed
US-3983119-A Process for the preparation of optionally substituted 1,2,3,5-tetrahydroimidazo[2,1-b]quinazolin-2-ones BRISTOL-MYERS COMPANY (US) 1976-09-28 US disclosed
US-3932407-A BRONCHODILATORS, HYPOTENSIVE AGENTS, ANTICOAGULANTS BRISTOL-MYERS COMPANY (US) 1976-01-13 US 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 (2 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-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 CD44 4753/4885THRB 1455/4885CYP3A4 139/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 CD44 4797/4885THRB 2105/4885CYP3A4 165/4885

“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.