SCHEMBL6073838

SCHEMBL6073838

CCNc1ncc(=O)n2c1CCC2C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
CYP1A2 P05177 5/20 0.40
CASP1 P29466 5/20 0.40
CASP7 P55210 5/20 0.40
HSD17B10 Q99714 5/20 0.40
CLK4 Q9HAZ1 2/20 0.40
CYP2C9 P11712 1/20 0.40
ACE P12821 4/20 0.38
MAPK1 P28482 1/20 0.32
HPGD P15428 3/20 0.32
GLA P06280 2/20 0.32
USP2 O75604 1/20 0.32
CYP2C19 P33261 1/20 0.32
HCAR3 P49019 1/20 0.31
PREP P48147 2/20 0.31
HIF1A Q16665 2/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL6073947 0.80 ACE (0.35) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL31486537 0.79 RPS6KB1 (0.39) ACEPREP
SCHEMBL31486254 0.77 NPFFR1 (0.39) ALDH1A1PREPGAA
SCHEMBL31486250 0.75 ACE (0.39) CYP1A2CASP1CASP7HSD17B10CLK4
SCHEMBL6073397 0.73 F2 (0.35) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL6074128 0.65 F7 (0.41) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL6073813 0.65 F7 (0.45) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL18893459 0.64 ACE (0.36) ALDH1A1ACE
SCHEMBL31486218 0.64 ACE (0.36) ALDH1A1ACE
SCHEMBL6073814 0.64 F7 (0.45) HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037911-B2 Amino-bicyclic pyrazinones and pyridinones as coagulation serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-02 US disclosed
US-20050038030-A1 Amino-bicyclic pyrazinones and pyridinones as coagulation serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-02-17 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 (1 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-20050038030-A1 Amino-bicyclic pyrazinones and pyridinones as coagulation serine protease inhibitors TFPI, F5, F2 ALDH1A1 2757/4885CYP1A2 651/4885CASP1 156/4885

“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.