SCHEMBL3202866

SCHEMBL3202866

COCCOc1cccc(Cn2c(C(=O)O)cc3cc(C#N)ccc32)c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.63
CCR2 P41597 7/20 0.61
NTRK1 P04629 1/20 0.54
CCR9 P51686 2/20 0.48
PLA2G4A P47712 1/20 0.46

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
SCHEMBL3210948 0.85 CCR2 (0.64) CNR1CCR2NTRK1CCR9
SCHEMBL13422796 0.84 CNR1 (0.88) CNR1
SCHEMBL3197626 0.83 CCR2 (0.64) CNR1CCR2NTRK1CCR9
SCHEMBL3188984 0.82 CNR1 (0.71) CNR1CCR2NTRK1CCR9
SCHEMBL3207445 0.81 CCR2 (0.58) CNR1CCR2NTRK1CCR9
SCHEMBL3190280 0.79 CCR2 (0.71) CNR1CCR2NTRK1CCR9
SCHEMBL6432803 0.79 CCR2 (0.70) CNR1CCR2NTRK1PLA2G4A
SCHEMBL13422852 0.78 CNR1 (0.82) CNR1NTRK1
SCHEMBL3956751 0.77 CCR2 (0.84) CCR2CCR9
SCHEMBL13422849 0.76 CNR1 (0.79) CNR1NTRK1

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 2 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

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 2/4885CCR2 830/4885NTRK1 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.