SCHEMBL3209376

SCHEMBL3209376

CCOC(=O)c1cc2cc(Cl)ccc2n1Cc1cc(C(C)(C)C)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.49
CCR2 P41597 5/20 0.46
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
CCR9 P51686 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F10 P00742 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
SCHEMBL3209844 0.88 CCR2 (0.60) CNR1CCR2CCR9
SCHEMBL2643537 0.85 CCR9 (0.60) CCR2NOD2NOD1CCR9KDM4E
SCHEMBL13422677 0.81 CNR1 (0.75) CNR1CCR2
SCHEMBL6300897 0.78 CCR2 (0.60) CCR2NOD2NOD1CCR9KDM4E
SCHEMBL5093926 0.77 CCR9 (0.64) CCR2NOD2NOD1CCR9KDM4E
SCHEMBL3198956 0.77 CCR2 (0.64) CNR1CCR2
SCHEMBL8689838 0.76 ALDH1A1 (0.54) CCR2NOD2NOD1KDM4EMAPT
SCHEMBL1503984 0.76 NOD2 (0.67) CCR2NOD2NOD1KDM4EMAPT
SCHEMBL3565301 0.76 NOD2 (0.55) CCR2NOD2NOD1CCR9KDM4E
SCHEMBL3204203 0.74 CCR2 (0.73) CNR1CCR2CCR9KDM4EPTGS2

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 CNR1 2/4885CCR2 830/4885NOD2 1643/4885

“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.