SCHEMBL2643531

SCHEMBL2643531

CCCCC(=O)c1cc2cc(Cl)ccc2n1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.59
PTGS2 P35354 2/20 0.48
PLA2G4A P47712 1/20 0.48
PTGS1 P23219 1/20 0.48
CCR9 P51686 1/20 0.48
GPR35 Q9HC97 1/20 0.47

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
SCHEMBL2643256 0.83 CCR2 (0.64) CCR2PTGS2PTGS1CCR9GPR35
SCHEMBL27658570 0.82 CCR2 (0.82) CCR2CCR9GPR35
SCHEMBL1503984 0.80 NOD2 (0.67) CCR2PTGS2
SCHEMBL1044018 0.79 CCR2 (0.62) CCR2PTGS2PTGS1CCR9GPR35
SCHEMBL3191922 0.76 CCR2 (0.76) CCR2CCR9GPR35
SCHEMBL718533 0.75 RXFP1 (0.52)
SCHEMBL4372812 0.75 CCR2 (0.60) CCR2PLA2G4A
SCHEMBL27926662 0.74 CCR2 (0.73) CCR2GPR35
SCHEMBL4537478 0.74 CCR2 (0.81) CCR2CCR9GPR35
SCHEMBL29258471 0.73 CCR2 (0.60) CCR2

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-7598398-B2 Acyl indoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-04-19 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-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use GPR119, IAPP, GLP1R CCR2 557/4885PTGS2 334/4885PLA2G4A 535/4885

“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.