SCHEMBL3023504

SCHEMBL3023504

COc1cc(CN2CCC(CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.47
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
TRPV6 Q9H1D0 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
PPARG P37231 1/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3038231 0.95 GAA (0.49) CCR2GAASMN1; SMN2TRPV1KDM4E
SCHEMBL3039852 0.94 CCR2 (0.45) CCR2GAASMN1; SMN2TRPV1KDM4E
SCHEMBL3029490 0.93 NPSR1 (0.49) CCR2ALDH1A1CYP2D6TSHRKCNH2
SCHEMBL3039081 0.92 CCR2 (0.47) CCR2GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL3029508 0.91 CCR2 (0.44) CCR2ALDH1A1CYP2D6TSHRKCNH2
SCHEMBL3035011 0.90 CYP2D6 (0.46) CCR2ALDH1A1CYP2D6TSHRPPARG
SCHEMBL3039150 0.88 CCR2 (0.45) CCR2ALDH1A1CYP2D6TSHRPPARG
SCHEMBL3033580 0.88 CCR2 (0.43) CCR2ALDH1A1CYP2D6TSHRPPARG
SCHEMBL3043761 0.88 CCR2 (0.45) CCR2GAASMN1; SMN2ACHECYP2D6
SCHEMBL13244006 0.87 L3MBTL1 (0.52) CCR2GAASMN1; SMN2CYP2D6TSHR

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-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
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 CCR2 1/4885GAA 3620/4885SMN1; SMN2 3522/4885

“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.