SCHEMBL3190280

SCHEMBL3190280

N#Cc1ccc2c(c1)cc(C(=O)O)n2Cc1cccc(Br)c1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.71
CCR9 P51686 2/20 0.52
F10 P00742 1/20 0.49
NTRK1 P04629 1/20 0.48
GPR35 Q9HC97 1/20 0.48
CNR1 P21554 7/20 0.48

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
SCHEMBL6436704 0.91 CCR2 (0.78) CCR2CCR9F10GPR35
SCHEMBL6436016 0.83 CCR2 (1.00) CCR2CCR9GPR35
SCHEMBL3211807 0.82 CCR2 (0.71) CCR2CCR9NTRK1CNR1
SCHEMBL3210948 0.82 CCR2 (0.64) CCR2CCR9NTRK1CNR1
SCHEMBL3197626 0.82 CCR2 (0.64) CCR2CCR9F10NTRK1GPR35
SCHEMBL6433082 0.82 CCR2 (0.78) CCR2CCR9F10GPR35
SCHEMBL6432426 0.82 CCR2 (0.78) CCR2CCR9F10NTRK1GPR35
SCHEMBL6433076 0.81 CCR2 (0.77) CCR2CCR9F10GPR35
SCHEMBL3188984 0.81 CNR1 (0.71) CCR2CCR9NTRK1CNR1
SCHEMBL3211169 0.81 CCR2 (0.56) CCR2CCR9NTRK1GPR35CNR1

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-7671080-B2 1-benzylindole-2-carboxamide derivatives N.V. ORGANON (NL) 2010-03-02 US disclosed
US-20080280923-A1 1-Benzylindole-2-Carboxamide Derivatives N.V. ORGANON (NL) 2008-11-13 US disclosed
EP-1940788-A1 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES N.V. Organon (NL) 2008-07-09 EP disclosed
WO-2006100208-A9 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES ORGANON NV (NL) 2007-11-22 WO disclosed
WO-2006100208-A1 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2006-09-28 WO 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-20080280923-A1 1-Benzylindole-2-Carboxamide Derivatives CNR2, CNR1, HTR2C CCR2 830/4885CCR9 3642/4885F10 3071/4885

“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.