SCHEMBL3787552

SCHEMBL3787552

Cn1c(=O)ccc2ccc(CN3CCC(C(=O)NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)(C4CC4)CC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 17/20 0.44
KCNH2 Q12809 3/20 0.43
MCHR2 Q969V1 1/20 0.43
MCHR1 Q99705 1/20 0.43
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL13806612 0.95 KCNH2 (0.41) CCR2KCNH2MCHR2MCHR1CYP2D6
SCHEMBL3779151 0.87 CCR2 (0.44) CCR2KCNH2MCHR2MCHR1CYP2D6
SCHEMBL3787511 0.84 CCR2 (0.43) CCR2KCNH2MCHR2MCHR1CYP2D6
SCHEMBL3788883 0.84 CCR2 (0.43) CCR2KCNH2MCHR2MCHR1CYP2D6
SCHEMBL13063421 0.84 CCR2 (0.43) CCR2KCNH2MCHR2MCHR1CYP2D6
SCHEMBL3787848 0.82 CCR2 (0.45) CCR2KCNH2MCHR2MCHR1CYP2D6
SCHEMBL3788182 0.81 CYP2D6 (0.43) CCR2KCNH2MCHR2MCHR1CYP2D6
SCHEMBL3788335 0.81 CCR2 (0.44) CCR2KCNH2CYP2D6TSHRUSP2
SCHEMBL3789635 0.80 CCR2 (0.41) CCR2KCNH2MCHR2MCHR1CYP2D6
SCHEMBL3787224 0.78 CCR2 (0.39) CCR2KCNH2MCHR2MCHR1CYP2D6

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 1/4885KCNH2 4417/4885MCHR2 394/4885

“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.