SCHEMBL3209844

SCHEMBL3209844

COc1ccc(C(C)(C)C)cc1Cn1c(C(=O)O)cc2cc(Cl)ccc21

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.60
CCR9 P51686 6/20 0.57
CNR1 P21554 3/20 0.52

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
SCHEMBL3209376 0.88 CNR1 (0.49) CCR2CCR9CNR1
SCHEMBL3198956 0.86 CCR2 (0.64) CCR2CNR1
SCHEMBL3204203 0.86 CCR2 (0.73) CCR2CCR9CNR1
SCHEMBL3202063 0.85 CCR2 (0.62) CCR2CCR9CNR1
SCHEMBL3201861 0.85 CNR1 (0.69) CCR2CCR9CNR1
SCHEMBL13422677 0.84 CNR1 (0.75) CCR2CNR1
SCHEMBL3201659 0.83 CCR2 (0.62) CCR2CNR1
SCHEMBL3200970 0.80 CNR1 (0.70) CCR2CNR1
SCHEMBL3205608 0.75 CCR2 (0.63) CCR2CCR9
SCHEMBL6306888 0.75 CCR2 (0.79) CCR2CCR9

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 CCR2 830/4885CCR9 3642/4885CNR1 2/4885

“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.