SCHEMBL3029490

SCHEMBL3029490

COc1cc(CN2CCC(CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CCR2 P41597 9/20 0.44
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
KCNH2 Q12809 7/20 0.41
ALDH1A1 P00352 1/20 0.41
CACNA1G O43497 1/20 0.41
TARDBP Q13148 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
SCHEMBL13244006 0.95 L3MBTL1 (0.52) NPSR1L3MBTL1CCR2CYP2D6TSHR
SCHEMBL3029508 0.93 CCR2 (0.44) NPSR1L3MBTL1CCR2CYP2D6TSHR
SCHEMBL3023504 0.93 CCR2 (0.47) CCR2CYP2D6TSHRKCNH2ALDH1A1
SCHEMBL3023181 0.89 CCR2 (0.45) CCR2CYP2D6TSHRKCNH2
SCHEMBL3038231 0.87 GAA (0.49) CCR2CYP2D6TSHRKCNH2ALDH1A1
SCHEMBL3039852 0.87 CCR2 (0.45) CCR2CYP2D6TSHRALDH1A1
SCHEMBL3043761 0.87 CCR2 (0.45) CCR2CYP2D6TSHRKCNH2
SCHEMBL3033045 0.87 CCR2 (0.44) CCR2CYP2D6TSHRKCNH2
SCHEMBL3039474 0.86 CCR2 (0.44) CCR2CYP2D6TSHRKCNH2ALDH1A1
SCHEMBL3040677 0.85 CCR2 (0.45) CCR2CYP2D6TSHRKCNH2ALDH1A1

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 NPSR1 320/4885L3MBTL1 3320/4885CCR2 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.