SCHEMBL3777436

SCHEMBL3777436

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(CC2CC2)CCN(Cc2cc3ccccc3[nH]c2=O)C1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.46
TACR1 P25103 2/20 0.40
KCNH2 Q12809 4/20 0.38

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
SCHEMBL3787797 0.79 KCNH2 (0.43) CCR2TACR1KCNH2
SCHEMBL3791324 0.79 CCR2 (0.45) CCR2KCNH2
SCHEMBL3782544 0.79 CCR2 (0.41) CCR2TACR1KCNH2
SCHEMBL3782894 0.79 CCR2 (0.44) CCR2KCNH2
SCHEMBL3782834 0.78 CCR2 (0.40) CCR2TACR1KCNH2
SCHEMBL3787792 0.78 DRD4 (0.47) CCR2
SCHEMBL3787808 0.78 CCR2 (0.42) CCR2TACR1KCNH2
SCHEMBL3041684 0.78 CCR2 (0.47) CCR2TACR1KCNH2
SCHEMBL3043761 0.78 CCR2 (0.45) CCR2TACR1KCNH2
SCHEMBL3023181 0.78 CCR2 (0.45) CCR2TACR1KCNH2

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-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 US claimed
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 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-20100331298-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 CCR2 1/4885TACR1 539/4885KCNH2 4417/4885

“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.