SCHEMBL3213245

SCHEMBL3213245

N#Cc1ccc2c(c1)cc(C(=O)O)n2Cc1ccccc1OC(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.62
CNR1 P21554 16/20 0.52
CCR2 P41597 2/20 0.51
CCR9 P51686 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
SCHEMBL3197567 0.86 CNR1 (0.55) NTRK1CNR1CCR2CCR9
SCHEMBL13422726 0.83 CNR1 (0.75) CNR1
SCHEMBL3207747 0.82 CNR1 (0.76) NTRK1CNR1
SCHEMBL3188984 0.81 CNR1 (0.71) NTRK1CNR1CCR2CCR9
SCHEMBL3211169 0.81 CCR2 (0.56) NTRK1CNR1CCR2CCR9
SCHEMBL3188873 0.81 CCR2 (0.56) NTRK1CNR1CCR2CCR9
SCHEMBL3205599 0.77 CCR2 (0.55) NTRK1CNR1CCR2CCR9
SCHEMBL14603481 0.76 NTRK1 (1.00) NTRK1CNR1CCR2CCR9
SCHEMBL3209346 0.76 CCR2 (0.65) NTRK1CNR1CCR2CCR9
SCHEMBL3198601 0.76 CNR1 (0.73) NTRK1CNR1CCR2CCR9

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 NTRK1 1086/4885CNR1 2/4885CCR2 830/4885

“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.