SCHEMBL3198601

SCHEMBL3198601

Cc1ccc(C(F)(F)F)cc1Cn1c(C(=O)O)cc2cc(C#N)ccc21

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.73
CCR9 P51686 2/20 0.53
NTRK1 P04629 1/20 0.52
CCR2 P41597 4/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.45

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
SCHEMBL3205717 0.86 CNR1 (0.69) CNR1CCR9NTRK1CCR2
SCHEMBL13422854 0.84 CNR1 (1.00) CNR1
SCHEMBL3188873 0.83 CCR2 (0.56) CNR1CCR9NTRK1CCR2
SCHEMBL3205599 0.79 CCR2 (0.55) CNR1CCR9NTRK1CCR2
SCHEMBL3202116 0.78 CCR2 (0.54) CNR1CCR9NTRK1CCR2
SCHEMBL3201861 0.78 CNR1 (0.69) CNR1CCR9NTRK1CCR2
SCHEMBL3212389 0.76 CCR2 (0.61) CNR1CCR9NTRK1CCR2
SCHEMBL3213245 0.76 NTRK1 (0.62) CNR1CCR9NTRK1CCR2
SCHEMBL21822129 0.75 CCR9 (0.80) CCR9CCR2
SCHEMBL31689652 0.75 CCR9 (0.80) CCR9CCR2

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 10 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 claimed
US-20080280923-A1 1-Benzylindole-2-Carboxamide Derivatives N.V. ORGANON (NL) 2008-11-13 US claimed
EP-1940788-A1 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES N.V. Organon (NL) 2008-07-09 EP claimed
WO-2006100208-A9 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES ORGANON NV (NL) 2007-11-22 WO claimed
WO-2006100208-A1 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2006-09-28 WO claimed
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 CNR1 2/4885CCR9 3642/4885NTRK1 1086/4885

“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.