SCHEMBL13063401

SCHEMBL13063401

CN1CCN(c2cc(C(F)(F)F)ccn2)C(=O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.48
ADRB1 P08588 1/20 0.48
NPSR1 Q6W5P4 1/20 0.43
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
GPR52 Q9Y2T5 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
CYP2D6 P10635 1/20 0.37
KCNN4 O15554 1/20 0.37
CXCR3 P49682 1/20 0.37
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36

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 0.83 HRH3 (0.50) CYP17A1ADRB1NPSR1NOS3NOS2
SCHEMBL13063400 0.81 CYP17A1 (0.56) CYP17A1ADRB1NPSR1NOS3NOS2
SCHEMBL3086650 0.81 CYP17A1 (0.46) CYP17A1ADRB1NPSR1NOS3NOS2
SCHEMBL30856775 0.80 GRIN2D (0.47) HRH3
SCHEMBL24706831 0.80 GRIN2D (0.47) HRH3
SCHEMBL13063693 0.79 NPSR1 (0.43) CYP17A1ADRB1NPSR1NOS3NOS2
SCHEMBL30856785 0.79 SLC6A2 (0.37) KDM4EALDH1A1HRH3
SCHEMBL24707424 0.79 SLC6A2 (0.37) KDM4EALDH1A1HRH3
SCHEMBL20390816 0.79 ADRB1 (0.51) CYP17A1ADRB1NPSR1NOS3NOS2
SCHEMBL12968838 0.77 ADRB1 (0.68) ADRB1MAPTKDM4EALDH1A1FFAR4

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.