SCHEMBL3033580

SCHEMBL3033580

COc1cc(CN2CCC(CC(C)C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.43
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
PPARG P37231 1/20 0.42
KCNH2 Q12809 4/20 0.41
ALDH1A1 P00352 1/20 0.41
CACNA1G O43497 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
CYP3A4 P08684 2/20 0.41
USP2 O75604 1/20 0.41
HIF1A Q16665 1/20 0.41
DUSP3 P51452 1/20 0.40

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
SCHEMBL3039147 0.95 CYP2D6 (0.46) CCR2CYP2D6TSHRPPARGKCNH2
SCHEMBL3035011 0.90 CYP2D6 (0.46) CCR2CYP2D6TSHRPPARGKCNH2
SCHEMBL3039150 0.88 CCR2 (0.45) CCR2CYP2D6TSHRPPARGKCNH2
SCHEMBL3023504 0.88 CCR2 (0.47) CCR2CYP2D6TSHRPPARGKCNH2
SCHEMBL3042078 0.88 TSHR (0.46) CCR2CYP2D6TSHRKCNH2ALDH1A1
SCHEMBL3034310 0.88 KMT2A (0.48) CCR2CYP2D6TSHRKCNH2ALDH1A1
SCHEMBL3039852 0.85 CCR2 (0.45) CCR2CYP2D6TSHRPPARGALDH1A1
SCHEMBL3038231 0.85 GAA (0.49) CCR2CYP2D6TSHRKCNH2ALDH1A1
SCHEMBL3039081 0.83 CCR2 (0.47) CCR2CYP2D6TSHRKCNH2ALDH1A1
SCHEMBL3041001 0.83 CCR2 (0.43) CCR2KCNH2TMEM97CYP3A4DUSP3

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 2 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

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 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.