SCHEMBL3784130

SCHEMBL3784130

Cn1c(=O)oc2ccc(CN3CCC(CC4CC4)(C(=O)NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.43
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 2/20 0.38
USP2 O75604 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 1/20 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
SCHEMBL3790440 0.95 CCR2 (0.43) CCR2CYP2D6TSHRGAASMN1; SMN2
SCHEMBL3784521 0.89 CCR2 (0.38) CCR2CYP2D6TSHRSMN1; SMN2KCNH2
Hydrochloric Acid SCHEMBL3782275 0.89 CCR2 (0.38) CCR2CYP2D6TSHRSMN1; SMN2KCNH2
SCHEMBL3779151 0.85 CCR2 (0.44) CCR2CYP2D6TSHRGAASMN1; SMN2
SCHEMBL13018984 0.84 CCR2 (0.43) CCR2CYP2D6TSHRGAASMN1; SMN2
SCHEMBL13806694 0.83 TACR1 (0.37) CCR2CYP2D6TSHRSMN1; SMN2KCNH2
SCHEMBL3788335 0.83 CCR2 (0.44) CCR2CYP2D6TSHRGAASMN1; SMN2
SCHEMBL3039076 0.83 DRD4 (0.46) CCR2CYP2D6TSHRGAASMN1; SMN2
SCHEMBL3786336 0.82 CCR2 (0.43) CCR2CYP2D6TSHRGAASMN1; SMN2
SCHEMBL13063421 0.81 CCR2 (0.43) CCR2CYP2D6TSHRGAASMN1; SMN2

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 1/4885CYP2D6 1241/4885TSHR 1158/4885

“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.