SCHEMBL13063644

SCHEMBL13063644

O=C(NCc1cc(CF)cc(C(F)(F)F)c1)C1(CC2CC2)CCN(Cc2ccc3ccn(C4CC4)c(=O)c3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.41
DRD4 P21917 2/20 0.37
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNH2 Q12809 5/20 0.35
TACR1 P25103 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
MCHR2 Q969V1 1/20 0.34

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
SCHEMBL3783825 0.95 CCR2 (0.45) CCR2DRD4GAASMN1; SMN2KCNH2
SCHEMBL13063696 0.86 CCR2 (0.38) CCR2DRD4GAASMN1; SMN2KCNH2
SCHEMBL13063695 0.85 CCR2 (0.41) CCR2DRD4GAASMN1; SMN2KCNH2
SCHEMBL3782559 0.81 CCR2 (0.41) CCR2GAASMN1; SMN2KCNH2
SCHEMBL3786935 0.81 CCR2 (0.44) CCR2KCNH2
SCHEMBL3784983 0.80 CCR2 (0.44) CCR2DRD4GAASMN1; SMN2KCNH2
SCHEMBL3782896 0.77 CCR2 (0.44) CCR2GAASMN1; SMN2KCNH2TACR1
SCHEMBL3039076 0.77 DRD4 (0.46) CCR2DRD4GAASMN1; SMN2KCNH2
SCHEMBL3779151 0.76 CCR2 (0.44) CCR2GAASMN1; SMN2KCNH2MCHR2
SCHEMBL13243367 0.76 CCR2 (0.39) CCR2GAAKCNH2CACNA1I

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 1 patent. 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 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 1/4885DRD4 2433/4885GAA 3620/4885

“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.