SCHEMBL13063693

SCHEMBL13063693

CCC(C)N1CCN(c2cc(C(F)(F)F)ccn2)C(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
CYP17A1 P05093 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
ADRB1 P08588 1/20 0.41
KDM4E B2RXH2 2/20 0.37
CYP2D6 P10635 1/20 0.37
ACACB O00763 2/20 0.37
FFAR4 Q5NUL3 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.35
KCNN4 O15554 1/20 0.35
CXCR3 P49682 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
GPR52 Q9Y2T5 1/20 0.35
NOS3 P29474 1/20 0.35

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
SCHEMBL13018941 0.88 HRH3 (0.50) NPSR1CYP17A1HRH3ADRB1KDM4E
SCHEMBL20013708 0.81 ADRB1 (0.57) NPSR1HRH3ADRB1KDM4ECYP2D6
SCHEMBL13063401 0.79 CYP17A1 (0.48) NPSR1CYP17A1HRH3ADRB1KDM4E
SCHEMBL3086650 0.74 CYP17A1 (0.46) NPSR1CYP17A1HRH3ADRB1KDM4E
SCHEMBL13063691 0.74 CYP17A1 (0.46) NPSR1CYP17A1HRH3ADRB1KDM4E
SCHEMBL13018939 0.73 CYP17A1 (0.53) NPSR1CYP17A1HRH3ADRB1KDM4E
SCHEMBL20390816 0.72 ADRB1 (0.51) NPSR1CYP17A1HRH3ADRB1KDM4E
SCHEMBL13063400 0.71 CYP17A1 (0.56) NPSR1CYP17A1HRH3ADRB1KDM4E
SCHEMBL13018940 0.70 CYP17A1 (0.49) NPSR1CYP17A1HRH3ADRB1KDM4E
SCHEMBL13018936 0.70 HRH3 (0.65) NPSR1HRH3ADRB1KDM4ECYP2D6

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 NPSR1 320/4885CYP17A1 3706/4885HRH3 183/4885

“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.