SCHEMBL13162005

SCHEMBL13162005

Cc1cc(C#N)ccc1C(=O)NCC1CCN(C)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.59
EGLN1 Q9GZT9 7/20 0.56
FASN P49327 2/20 0.49
VNN1 O95497 1/20 0.48
KDM1A O60341 1/20 0.44
CETP P11597 1/20 0.43
HTR7 P34969 1/20 0.43
CCR8 P51685 1/20 0.42

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
SCHEMBL16616770 0.84 NAMPT (0.67) NAMPTEGLN1FASNVNN1
SCHEMBL13162880 0.82 EGLN1 (0.55) EGLN1FASN
SCHEMBL13161992 0.81 NAMPT (0.56) NAMPTEGLN1FASNKDM1A
SCHEMBL13162894 0.79 HTR7 (0.60) NAMPTHTR7CCR8
SCHEMBL29980802 0.79 FASN (0.74) FASN
SCHEMBL12686841 0.79 FASN (0.74) FASN
SCHEMBL24552383 0.75 OPRM1 (0.59) NAMPT
SCHEMBL16110516 0.75 EGLN1 (0.71) EGLN1
SCHEMBL3709218 0.75 NAMPT (1.00) NAMPT
SCHEMBL31431458 0.73 KDM1A (0.42) EGLN1KDM1ACETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 NAMPT 647/4885EGLN1 3941/4885FASN 4802/4885

“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.