SCHEMBL13063399

SCHEMBL13063399

CC1CCN(c2cc(C(F)(F)F)ccn2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.51
ADRB1 P08588 1/20 0.48
NPSR1 Q6W5P4 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CXCR3 P49682 1/20 0.41
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
EGLN2 Q96KS0 1/20 0.40
MAPT P10636 2/20 0.40
LCAT P04180 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ACACB O00763 1/20 0.39
IDH1 O75874 1/20 0.38

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
SCHEMBL13018940 0.84 CYP17A1 (0.49) CYP17A1ADRB1NPSR1FFAR4HRH3
SCHEMBL8789168 0.84 CYP17A1 (0.51) CYP17A1ADRB1NPSR1FFAR4HRH3
SCHEMBL9265494 0.84 CYP17A1 (0.54) CYP17A1ADRB1NPSR1FFAR4HRH3
SCHEMBL8787300 0.83 CYP17A1 (0.51) CYP17A1ADRB1NPSR1FFAR4HRH3
SCHEMBL13063691 0.80 CYP17A1 (0.46) CYP17A1ADRB1NPSR1FFAR4HRH3
SCHEMBL8670858 0.79 CYP17A1 (0.47) CYP17A1ADRB1NPSR1FFAR4HRH3
SCHEMBL23143320 0.77 ADRB1 (0.49) CYP17A1ADRB1NPSR1FFAR4HRH3
SCHEMBL8661026 0.76 CNR1 (0.45) CYP17A1ADRB1FFAR4HRH3MAPT
SCHEMBL9023401 0.75 HTR7 (0.48) ADRB1FFAR4HRH3CXCR3MAPT
SCHEMBL13063400 0.75 CYP17A1 (0.56) CYP17A1ADRB1NPSR1FFAR4HRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 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-20100331298-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 CYP17A1 3706/4885ADRB1 291/4885NPSR1 320/4885

“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.