SCHEMBL4812558

SCHEMBL4812558

N#Cc1ccc2c(Cc3cccc(Br)c3)c[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 3/20 0.43
SSTR2 P30874 2/20 0.43
SSTR1 P30872 1/20 0.43
SSTR3 P32745 1/20 0.43
GPR84 Q9NQS5 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
CSNK2A1 P68400 1/20 0.41
SNCA P37840 2/20 0.40
PTPN1 P18031 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SLC6A4 P31645 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
NR3C2 P08235 1/20 0.39

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
SCHEMBL21399587 0.79 MEN1 (0.68) SSTR4SSTR1SSTR3GPR84MEN1
SCHEMBL4813229 0.79 GPR84 (0.45) GPR84MEN1KMT2ACSNK2A1SLC6A4
SCHEMBL31744847 0.76 GPR84 (0.73) GPR84MEN1KMT2ACSNK2A1PTPN1
SCHEMBL5899817 0.74 MEN1 (0.59) MEN1KMT2ASNCASLC6A4
SCHEMBL15571933 0.74 DAO (0.41) HRH3
SCHEMBL24328223 0.73 SLC6A4 (0.46) GPR84SLC6A4NR3C1PGRNR3C2
SCHEMBL28862319 0.73 LOXL2 (0.47) HRH3
SCHEMBL7581955 0.72 GPR84 (0.60) SSTR4SSTR2GPR84KMT2ASNCA
SCHEMBL31744613 0.72 GPR84 (0.56) GPR84MEN1KMT2ASNCASLC6A4
SCHEMBL31744675 0.71 CHRNB2 (0.60) GPR84MEN1KMT2ACHRNB2CHRNA7

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 SSTR4 3457/4885SSTR2 3869/4885SSTR1 3880/4885

“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.