SCHEMBL3039150

SCHEMBL3039150

COCCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN(Cc2ccc(O)c(OC)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.45
PPARG P37231 1/20 0.43
KCNH2 Q12809 5/20 0.43
CACNA1G O43497 2/20 0.43
CYP2D6 P10635 2/20 0.42
TSHR P16473 2/20 0.42
USP2 O75604 5/20 0.42
CYP3A4 P08684 4/20 0.42
GLA P06280 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HIF1A Q16665 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL3035011 0.92 CYP2D6 (0.46) CCR2PPARGKCNH2CACNA1GCYP2D6
SCHEMBL3023504 0.88 CCR2 (0.47) CCR2PPARGKCNH2CYP2D6TSHR
SCHEMBL3033580 0.88 CCR2 (0.43) CCR2PPARGKCNH2CACNA1GCYP2D6
SCHEMBL3039852 0.85 CCR2 (0.45) CCR2PPARGCYP2D6TSHRUSP2
SCHEMBL3038231 0.85 GAA (0.49) CCR2KCNH2CACNA1GCYP2D6TSHR
SCHEMBL3039147 0.85 CYP2D6 (0.46) CCR2PPARGKCNH2CACNA1GCYP2D6
SCHEMBL3039081 0.83 CCR2 (0.47) CCR2KCNH2CACNA1GCYP2D6TSHR
SCHEMBL3039263 0.83 CCR2 (0.45) CCR2PPARGKCNH2CACNA1GCYP2D6
SCHEMBL3029490 0.81 NPSR1 (0.49) CCR2KCNH2CACNA1GCYP2D6TSHR
SCHEMBL3039487 0.81 CYP2D6 (0.42) CCR2PPARGKCNH2CACNA1GCYP2D6

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 3 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
WO-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 WO 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 1/4885PPARG 124/4885KCNH2 4417/4885

“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.