SCHEMBL4812180

SCHEMBL4812180

CCOC(=O)c1ccccc1-c1ccccc1Cc1cn(CC)c2cc(C#N)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ELANE P08246 3/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 4/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
KDM1A O60341 1/20 0.37
AR P10275 2/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4812974 0.82 TDP1 (0.40) LMNATDP1MAPTPOLBTSHR
SCHEMBL4810316 0.79 CA12 (0.41) CYP11B1CYP11B2ELANEMAPTPOLB
SCHEMBL5174167 0.78 PLA2G4A (0.37) CYP11B1CYP11B2LMNAMAPTPOLB
SCHEMBL4812930 0.77 PLA2G4A (0.41) ELANETSHRKDM1AMEN1KMT2A
SCHEMBL4812944 0.76 PLA2G4A (0.38) ELANELMNAMAPTTSHRKDM1A
SCHEMBL4808301 0.75 PGR (0.39) LMNAMAPTPOLBKDM1AAR
SCHEMBL4815505 0.74 TSHR (0.36) ELANELMNAMAPTTSHRKDM1A
SCHEMBL4812571 0.74 PLA2G4A (0.43) LMNAMAPTPOLBTSHRKDM4E
SCHEMBL4811266 0.73 PTGER4 (0.36) TSHR
SCHEMBL4813225 0.73 PLA2G2A (0.48) LMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
EP-1740538-A4 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-12-19 EP disclosed
EP-1740538-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed
WO-2005099709-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-27 WO disclosed
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 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 (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-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent F12, F11, F2 CYP11B1 2970/4885CYP11B2 3315/4885ELANE 96/4885

“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.