SCHEMBL3784437

SCHEMBL3784437

O=C(NCc1cncc(C(F)(F)F)c1)C1(CC2CC2)CCN(Cc2ccc3sc(=O)[nH]c3c2)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.35
GLS O94925 5/20 0.34
KCNH2 Q12809 3/20 0.34
CYP3A4 P08684 5/20 0.34
USP2 O75604 4/20 0.34
TSHR P16473 4/20 0.34
CYP2D6 P10635 4/20 0.34
HIF1A Q16665 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
MCHR2 Q969V1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL3782544 0.92 CCR2 (0.41) CCR2KCNH2CYP3A4USP2TSHR
SCHEMBL3786892 0.85 CCR2 (0.36) CCR2GLSKCNH2SMN1; SMN2GAA
SCHEMBL4128765 0.84 CCR2 (0.38) CCR2GLSKCNH2CYP3A4USP2
SCHEMBL3781517 0.83 DRD4 (0.46) CCR2
SCHEMBL3787852 0.82 CCR2 (0.37) CCR2GLSKCNH2CYP3A4USP2
SCHEMBL3786528 0.82 WNT1 (0.40) CCR2GLSKCNH2MCHR2
SCHEMBL3776521 0.81 PARP1 (0.44) KCNH2TSHRMCHR2
SCHEMBL3782902 0.80 KCNH2 (0.39) CCR2GLSKCNH2SMN1; SMN2GAA
SCHEMBL3785872 0.80 CCR2 (0.38) CCR2GLSKCNH2SMN1; SMN2GAA
SCHEMBL3028961 0.79 CCR2 (0.37) CCR2GLSKCNH2CYP3A4TSHR

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 1/4885GLS 922/4885KCNH2 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.