SCHEMBL3787224

SCHEMBL3787224

Cn1c(=O)ccc2ccc(CN3CCC(CC4CC4)(C(=O)NCc4cc(C#N)cc(C(F)(F)F)c4)C3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.39
TACR1 P25103 1/20 0.39
KCNH2 Q12809 4/20 0.38
MCHR2 Q969V1 1/20 0.38
MCHR1 Q99705 1/20 0.38
USP2 O75604 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
CLPP Q16740 1/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CACNA1G O43497 2/20 0.35
DRD2 P14416 2/20 0.35

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
SCHEMBL3788883 0.93 CCR2 (0.43) CCR2KCNH2MCHR2MCHR1SMN1; SMN2
SCHEMBL13063421 0.93 CCR2 (0.43) CCR2KCNH2MCHR2MCHR1SMN1; SMN2
SCHEMBL3787848 0.90 CCR2 (0.45) CCR2KCNH2MCHR2MCHR1USP2
SCHEMBL3779151 0.89 CCR2 (0.44) CCR2KCNH2MCHR2MCHR1USP2
SCHEMBL3784521 0.87 CCR2 (0.38) CCR2TACR1KCNH2USP2SMN1; SMN2
SCHEMBL3782902 0.87 KCNH2 (0.39) CCR2KCNH2MCHR2MCHR1SMN1; SMN2
Hydrochloric Acid SCHEMBL3782275 0.87 CCR2 (0.38) CCR2TACR1KCNH2USP2SMN1; SMN2
SCHEMBL3788446 0.84 GLS (0.42) CCR2KCNH2MCHR2MCHR1USP2
SCHEMBL3788335 0.83 CCR2 (0.44) CCR2KCNH2USP2SMN1; SMN2CYP1A2
SCHEMBL3791522 0.83 CCR2 (0.42) CCR2TACR1KCNH2MCHR2MCHR1

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 1/4885TACR1 539/4885KCNH2 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.