SCHEMBL3041684

SCHEMBL3041684

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(CC2CC2)CCN(Cc2ccc(-c3ccc(F)cc3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.47
KCNH2 Q12809 3/20 0.47
TACR1 P25103 2/20 0.47
MCHR1 Q99705 1/20 0.44
CCR5 P51681 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 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
SCHEMBL3043761 0.88 CCR2 (0.45) CCR2KCNH2TACR1
SCHEMBL3023181 0.88 CCR2 (0.45) CCR2KCNH2TACR1
SCHEMBL3033045 0.85 CCR2 (0.44) CCR2KCNH2TACR1
SCHEMBL3029490 0.84 NPSR1 (0.49) CCR2KCNH2ALDH1A1
SCHEMBL3029508 0.84 CCR2 (0.44) CCR2KCNH2ALDH1A1
SCHEMBL3038771 0.83 CCR2 (0.44) CCR2KCNH2TACR1ALDH1A1
SCHEMBL3029680 0.83 CCR2 (0.44) CCR2KCNH2TACR1ALDH1A1
SCHEMBL3039474 0.83 CCR2 (0.44) CCR2KCNH2TACR1ALDH1A1
SCHEMBL3791058 0.83 CCR2 (0.44) CCR2KCNH2TACR1
SCHEMBL3038733 0.83 KCNH2 (0.47) CCR2KCNH2TACR1

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 1/4885KCNH2 4417/4885TACR1 539/4885

“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.