SCHEMBL2643537

SCHEMBL2643537

CCOC(=O)c1cc2cc(Cl)ccc2n1Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 8/20 0.60
NOD2 Q9HC29 1/20 0.58
NOD1 Q9Y239 1/20 0.58
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CCR2 P41597 5/20 0.56
F10 P00742 2/20 0.53
GCGR P47871 1/20 0.51
PTGS2 P35354 2/20 0.51

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
SCHEMBL6300897 0.88 CCR2 (0.60) CCR9NOD2NOD1KDM4EMAPT
SCHEMBL5093926 0.87 CCR9 (0.64) CCR9NOD2NOD1KDM4EMAPT
SCHEMBL1503984 0.86 NOD2 (0.67) NOD2NOD1KDM4EMAPTMAPK1
SCHEMBL3209376 0.85 CNR1 (0.49) CCR9NOD2NOD1KDM4EMAPT
SCHEMBL8692295 0.84 NOD2 (0.58) NOD2NOD1KDM4EMAPTMAPK1
SCHEMBL3565301 0.83 NOD2 (0.55) CCR9NOD2NOD1KDM4EMAPT
SCHEMBL3201430 0.83 NOD2 (0.63) NOD2NOD1KDM4EMAPTMAPK1
SCHEMBL8689838 0.82 ALDH1A1 (0.54) NOD2NOD1KDM4EMAPTMAPK1
SCHEMBL6307749 0.81 CCR2 (0.74) NOD2NOD1KDM4EMAPTMAPK1
SCHEMBL2643108 0.81 CCR9 (0.65) CCR9CCR2GCGRPTGS2

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 CCR9 3440/4885NOD2 868/4885NOD1 1726/4885

“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.