SCHEMBL3784211

SCHEMBL3784211

Cn1c(=O)ccc2ccc(CN3CCC(CC4CC4)(C(=O)N4CC(c5cc(C(F)(F)F)ccn5)C4)C3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.36
▸ MCHR2 Q969V1 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ CCR2 P41597 1/20 0.35
▸ MAP3K12 Q12852 8/20 0.35
▸ SYK P43405 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CYP3A4 P08684 3/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ USP2 O75604 2/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL3789038 0.88 CCR2 (0.47) KCNH2CCR2CHRM2CHRM1CHRM3
SCHEMBL3735950 0.81 CCR2 (0.42) KCNH2CCR2
SCHEMBL1119890 0.81 CCR2 (0.42) KCNH2CCR2
SCHEMBL3742106 0.81 CCR2 (0.42) KCNH2CCR2
SCHEMBL3788883 0.78 CCR2 (0.43) KCNH2MCHR2MCHR1CCR2GAA
SCHEMBL13063421 0.78 CCR2 (0.43) KCNH2MCHR2MCHR1CCR2GAA
SCHEMBL3782885 0.78 CCR2 (0.36) CCR2PIK3CAPRKAA2CHRM4CYP3A4
SCHEMBL3033156 0.77 MAP3K12 (0.45) KCNH2CCR2MAP3K12
SCHEMBL3787848 0.77 CCR2 (0.45) KCNH2MCHR2MCHR1CCR2CYP3A4
SCHEMBL3782902 0.77 KCNH2 (0.39) KCNH2MCHR2MCHR1CCR2GAA

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 4 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
WO-2009076404-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2009-06-18 — — WO claimed
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 KCNH2 4417/4885MCHR2 394/4885MCHR1 325/4885

“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.

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