SCHEMBL3788741

SCHEMBL3788741

CC(C)CC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN(Cc2ccc3c(c2)nnn3C)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.42
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP3A4 P08684 1/20 0.40
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL13063403 0.95 CCR2 (0.39) CCR2CYP2D6TSHRCYP3A4KCNH2
SCHEMBL3787511 0.81 CCR2 (0.43) CCR2CYP2D6TSHRCYP3A4USP2
SCHEMBL13222917 0.80 CCR2 (0.47) CCR2CYP2D6TSHRCYP3A4USP2
SCHEMBL3034310 0.80 KMT2A (0.48) CCR2CYP2D6TSHRCYP3A4USP2
SCHEMBL3033257 0.80 ALDH1A1 (0.48) CCR2TSHRALDH1A1HPGDL3MBTL1
SCHEMBL3042078 0.79 TSHR (0.46) CCR2CYP2D6TSHRCYP3A4USP2
SCHEMBL3039147 0.79 CYP2D6 (0.46) CCR2CYP2D6TSHRCYP3A4USP2
SCHEMBL3029890 0.79 CCR2 (0.51) CCR2CYP3A4
SCHEMBL3039489 0.78 CYP2D6 (0.45) CCR2CYP2D6TSHRCYP3A4USP2
SCHEMBL3783464 0.78 CCR2 (0.43) CCR2CYP2D6TSHRCYP3A4USP2

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 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
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.