SCHEMBL3436738

SCHEMBL3436738

Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.50
AVPR1A P37288 1/20 0.44
HSD11B1 P28845 1/20 0.44
CPT2 P23786 2/20 0.43
CPT1A P50416 2/20 0.43
TSHR P16473 2/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
PARP1 P09874 1/20 0.42
GAA P10253 1/20 0.41
ATR Q13535 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3436730 0.81 TRPV1 (0.52) TRPV1HSD11B1TSHRGAAMEN1
SCHEMBL3436582 0.78 POLB (0.52) TRPV1TSHRMEN1MAPTKMT2A
SCHEMBL3436723 0.77 HTT (0.52) TRPV1TSHRMEN1MAPTKMT2A
SCHEMBL14423729 0.76 TRPV1 (0.61) TRPV1AVPR1AHSD11B1PARP1GAA
SCHEMBL20339483 0.76 TRPV1 (0.61) TRPV1AVPR1AHSD11B1PARP1GAA
SCHEMBL3086917 0.76 CNR2 (0.52) TRPV1TSHRMEN1MAPTKMT2A
SCHEMBL14818767 0.75 TRPV1 (0.56) TRPV1AVPR1AHSD11B1PARP1
SCHEMBL3436727 0.74 KMT2A (0.52) TRPV1MEN1KMT2A
SCHEMBL3436725 0.73 ELANE (0.53) TRPV1TSHRMAPTKMT2A
SCHEMBL3436729 0.72 CHRM4 (0.55) TRPV1TSHRMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 TRPV1 3/4885AVPR1A 1324/4885HSD11B1 3972/4885

“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.