SCHEMBL3033457

SCHEMBL3033457

COc1ccc(C(=O)NCCN2CCC(CC(C)C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.45
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 4/20 0.42
GAA P10253 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CCR2 P41597 13/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CACNA1G O43497 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 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
SCHEMBL13222980 0.89 CD274 (0.44) CD274ALDH1A1KDM4EHPGDGAA
SCHEMBL3039489 0.86 CYP2D6 (0.45) ALDH1A1CYP2D6CCR2CACNA1GKCNH2
SCHEMBL3037251 0.78 CCR2 (0.51) CCR2KCNH2
SCHEMBL13222973 0.78 CCR2 (0.51) CCR2KCNH2
SCHEMBL3029890 0.77 CCR2 (0.51) CCR2CYP3A4
SCHEMBL3034310 0.76 KMT2A (0.48) ALDH1A1KDM4ECYP2D6CCR2NPSR1
SCHEMBL3039147 0.74 CYP2D6 (0.46) ALDH1A1CYP2D6CCR2NPSR1CACNA1G
SCHEMBL3042078 0.74 TSHR (0.46) ALDH1A1KDM4EGAACYP1A2CYP2D6
SCHEMBL3033014 0.73 CCR2 (0.49) ALDH1A1CYP2D6CYP2C19CCR2KCNH2
SCHEMBL3029686 0.73 TSHR (0.43) ALDH1A1CYP2D6CCR2NPSR1CACNA1G

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 CD274 343/4885ALDH1A1 1247/4885KDM4E 3492/4885

“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.