SCHEMBL3039147

SCHEMBL3039147

COc1cc(CN2CCC(CC(C)C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CCR2 P41597 7/20 0.45
KCNH2 Q12809 6/20 0.44
CACNA1G O43497 2/20 0.44
CYP3A4 P08684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPARG P37231 1/20 0.43
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL3033580 0.95 CCR2 (0.43) CYP2D6TSHRCCR2KCNH2CACNA1G
SCHEMBL3042078 0.93 TSHR (0.46) CYP2D6TSHRCCR2KCNH2CACNA1G
SCHEMBL3034310 0.93 KMT2A (0.48) CYP2D6TSHRCCR2KCNH2CACNA1G
SCHEMBL3038231 0.88 GAA (0.49) CYP2D6TSHRCCR2KCNH2CACNA1G
SCHEMBL13222917 0.88 CCR2 (0.47) CYP2D6TSHRCCR2KCNH2CYP3A4
SCHEMBL3041001 0.86 CCR2 (0.43) CCR2KCNH2CYP3A4
SCHEMBL3039081 0.86 CCR2 (0.47) CYP2D6TSHRCCR2KCNH2CACNA1G
SCHEMBL3035011 0.86 CYP2D6 (0.46) CYP2D6TSHRCCR2KCNH2CACNA1G
SCHEMBL3039263 0.86 CCR2 (0.45) CYP2D6TSHRCCR2KCNH2CACNA1G
SCHEMBL3023504 0.85 CCR2 (0.47) CYP2D6TSHRCCR2KCNH2PPARG

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-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 US claimed
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 US disclosed
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 US disclosed
WO-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 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-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE CCR2, CCR1, CCR5 CYP2D6 1241/4885TSHR 1158/4885CCR2 1/4885

“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.