SCHEMBL4813255

SCHEMBL4813255

CCn1cc(Cc2cccc(Br)c2)c2ccc(C#N)cc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
AR P10275 1/20 0.38
KDM1A O60341 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP19A1 P11511 4/20 0.36
SLC6A4 P31645 1/20 0.36
PRNP P04156 1/20 0.35
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.34
NR1D1 P20393 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL4809520 0.87 CYP19A1 (0.44) KDM1ACYP19A1MAPTTSHRPOLB
SCHEMBL4808301 0.81 PGR (0.39) NR3C1PGRNR3C2ARKDM1A
SCHEMBL4816682 0.73 FNTA (0.37) NR3C1PGRNR3C2AR
SCHEMBL4813751 0.73 PLA2G4A (0.46) NR3C1PGRNR3C2ARKDM1A
SCHEMBL28862319 0.72 LOXL2 (0.47) L3MBTL1CYP19A1PRNPTAAR1
SCHEMBL4812558 0.71 SSTR4 (0.43) NR3C1PGRNR3C2SLC6A4
SCHEMBL23953422 0.70 AR (0.44) ARSLC6A4
SCHEMBL4809830 0.69 PLA2G4A (0.37) NR3C1PGRNR3C2ARKDM1A
SCHEMBL10095347 0.67 SMN1; SMN2 (0.47) NR3C1PGRNR3C2ARMAPT
SCHEMBL4812180 0.67 CYP11B1 (0.41) NR3C1PGRNR3C2ARKDM1A

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 NR3C1 4333/4885PGR 2303/4885NR3C2 3884/4885

“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.