SCHEMBL3039852

SCHEMBL3039852

COc1cc(CN2CCC(CC3CCOCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.45
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
HIF1A Q16665 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
TRPV6 Q9H1D0 1/20 0.40
PPARG P37231 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 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
SCHEMBL3023504 0.94 CCR2 (0.47) CCR2GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL3038231 0.90 GAA (0.49) CCR2GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL3039081 0.88 CCR2 (0.47) CCR2GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL3029490 0.87 NPSR1 (0.49) CCR2ALDH1A1CYP2D6TSHR
SCHEMBL3035011 0.86 CYP2D6 (0.46) CCR2ALDH1A1USP2CYP3A4HIF1A
SCHEMBL3029508 0.86 CCR2 (0.44) CCR2ALDH1A1USP2CYP3A4HIF1A
SCHEMBL3039150 0.85 CCR2 (0.45) CCR2ALDH1A1USP2CYP3A4HIF1A
SCHEMBL3033580 0.85 CCR2 (0.43) CCR2ALDH1A1USP2CYP3A4HIF1A
SCHEMBL3043761 0.83 CCR2 (0.45) CCR2GAASMN1; SMN2USP2CYP3A4
SCHEMBL3036595 0.83 CCR2 (0.50) CCR2

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 1/4885GAA 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.