SCHEMBL3784983

SCHEMBL3784983

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(CC2CC2)CCN(Cc2ccc3cc[nH]c(=O)c3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.44
TRPV1 Q8NER1 1/20 0.39
DRD4 P21917 1/20 0.38
TACR1 P25103 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
KCNH2 Q12809 2/20 0.37
USP2 O75604 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
AKT2 P31751 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MCHR2 Q969V1 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
SCHEMBL13063695 0.95 CCR2 (0.41) CCR2TRPV1DRD4TACR1GAA
SCHEMBL3792321 0.87 CCR2 (0.44) CCR2TRPV1DRD4TACR1KCNH2
SCHEMBL3782896 0.84 CCR2 (0.44) CCR2TACR1GAASMN1; SMN2CYP2D6
SCHEMBL3783825 0.84 CCR2 (0.45) CCR2DRD4TACR1GAASMN1; SMN2
SCHEMBL3039076 0.82 DRD4 (0.46) CCR2DRD4GAASMN1; SMN2CYP2D6
SCHEMBL3779151 0.81 CCR2 (0.44) CCR2GAASMN1; SMN2CYP2D6TSHR
SCHEMBL3788335 0.81 CCR2 (0.44) CCR2GAASMN1; SMN2CYP2D6TSHR
SCHEMBL3786935 0.80 CCR2 (0.44) CCR2CYP2D6TSHRKCNH2USP2
SCHEMBL13063644 0.80 CCR2 (0.41) CCR2DRD4TACR1GAASMN1; SMN2
SCHEMBL3034202 0.80 CCR2 (0.45) CCR2TACR1GAASMN1; SMN2CYP2D6

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-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
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 US disclosed
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 US disclosed
WO-2009076404-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2009-06-18 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-20100331298-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 CCR2 1/4885TRPV1 97/4885DRD4 2433/4885

“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.