SCHEMBL3201016

SCHEMBL3201016

N#Cc1ccc2c(c1)cc(C(=O)O)n2Cc1cccc2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.54
NTRK1 P04629 1/20 0.48
CCR9 P51686 2/20 0.45
PIK3C2B O00750 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
CNR1 P21554 5/20 0.42
EGLN1 Q9GZT9 2/20 0.41
PKM P14618 1/20 0.41
SLC22A12 Q96S37 1/20 0.41

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
SCHEMBL13422741 0.82 CNR1 (0.68) CNR1
SCHEMBL3211169 0.79 CCR2 (0.56) CCR2NTRK1CCR9CNR1
SCHEMBL3188873 0.79 CCR2 (0.56) CCR2NTRK1CCR9CNR1
SCHEMBL3205599 0.78 CCR2 (0.55) CCR2NTRK1CCR9CNR1
SCHEMBL3197567 0.77 CNR1 (0.55) CCR2NTRK1CCR9CNR1
SCHEMBL3213245 0.74 NTRK1 (0.62) CCR2NTRK1CCR9CNR1
SCHEMBL3190280 0.74 CCR2 (0.71) CCR2NTRK1CCR9CNR1
SCHEMBL3205486 0.74 CCR2 (0.67) CCR2NTRK1CCR9CNR1
SCHEMBL21822526 0.74 CCR9 (0.57) CCR2NTRK1CCR9
SCHEMBL3205717 0.74 CNR1 (0.69) CCR2NTRK1CCR9CNR1

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 830/4885NTRK1 1086/4885CCR9 3642/4885

“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.