SCHEMBL3786336

SCHEMBL3786336

Cn1c(=O)sc2cc(CN3CCC(CC4CC4)(C(=O)NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.43
HTR1A P08908 2/20 0.42
SIGMAR1 Q99720 7/20 0.42
ACHE P22303 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
KCNH2 Q12809 2/20 0.38

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
SCHEMBL13806866 0.95 HTR1A (0.41) CCR2HTR1ASIGMAR1ACHEGAA
SCHEMBL13018984 0.94 CCR2 (0.43) CCR2GAASMN1; SMN2CYP2D6TSHR
SCHEMBL3789044 0.89 CCR2 (0.43) CCR2GAASMN1; SMN2CYP2D6TSHR
SCHEMBL13806697 0.87 CCR2 (0.39) CCR2HTR1AGAASMN1; SMN2CYP2D6
SCHEMBL3788335 0.85 CCR2 (0.44) CCR2GAASMN1; SMN2CYP2D6TSHR
SCHEMBL3779151 0.84 CCR2 (0.44) CCR2GAASMN1; SMN2CYP2D6TSHR
SCHEMBL3784130 0.82 CCR2 (0.43) CCR2GAASMN1; SMN2CYP2D6TSHR
SCHEMBL3786892 0.81 CCR2 (0.36) CCR2HTR1ASIGMAR1GAASMN1; SMN2
SCHEMBL3038231 0.79 GAA (0.49) CCR2ACHEGAASMN1; SMN2CYP2D6
SCHEMBL3034250 0.79 FAAH (0.44) CCR2GAASMN1; SMN2CYP2D6TSHR

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
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

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 1/4885HTR1A 558/4885SIGMAR1 374/4885

“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.