SCHEMBL3789044

SCHEMBL3789044

Cn1c(=O)sc2ccc(CN3CCC(CC4CC4)(C(=O)NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)C3)cc21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.43
KCNH2 Q12809 2/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL13018984 0.95 CCR2 (0.43) CCR2KCNH2CYP2D6TSHRGAA
SCHEMBL3786892 0.92 CCR2 (0.36) CCR2KCNH2GAASMN1; SMN2
SCHEMBL13806697 0.90 CCR2 (0.39) CCR2KCNH2CYP2D6TSHRGAA
SCHEMBL3786336 0.89 CCR2 (0.43) CCR2KCNH2CYP2D6TSHRGAA
SCHEMBL13063421 0.86 CCR2 (0.43) CCR2KCNH2CYP3A4CYP2D6TSHR
SCHEMBL3788883 0.86 CCR2 (0.43) CCR2KCNH2CYP3A4CYP2D6TSHR
SCHEMBL3791324 0.85 CCR2 (0.45) CCR2KCNH2CYP3A4CYP2D6TSHR
SCHEMBL13806866 0.85 HTR1A (0.41) CCR2GAASMN1; SMN2
SCHEMBL3790440 0.85 CCR2 (0.43) CCR2KCNH2CYP3A4CYP2D6TSHR
SCHEMBL3782544 0.84 CCR2 (0.41) CCR2KCNH2CYP3A4CYP2D6TSHR

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 1/4885KCNH2 4417/4885CYP3A4 1097/4885

“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.