SCHEMBL3436367

SCHEMBL3436367

Cc1ccccc1C1CCN(C(N)=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.54
HSD11B1 P28845 1/20 0.51
ALDH1A1 P00352 2/20 0.49
HTR2C P28335 2/20 0.49
FAAH O00519 1/20 0.48
AVPR1A P37288 1/20 0.48
DRD4 P21917 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RBP4 P02753 2/20 0.44
BRD4 O60885 2/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
CREBBP Q92793 1/20 0.43
MCHR1 Q99705 1/20 0.42
OPRL1 P41146 1/20 0.42
KCNH2 Q12809 1/20 0.42
PROKR1 Q8TCW9 2/20 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
SCHEMBL3436379 0.91 HSD11B1 (0.58) TRPV1HSD11B1ALDH1A1HTR2CFAAH
SCHEMBL27900121 0.85 TRPV1 (0.55) TRPV1HSD11B1ALDH1A1HTR2CFAAH
SCHEMBL13450987 0.84 TRPV1 (0.54) TRPV1HSD11B1ALDH1A1HTR2CFAAH
SCHEMBL14500536 0.83 TRPV1 (0.51) TRPV1HSD11B1ALDH1A1HTR2CFAAH
Hydrochloric Acid SCHEMBL5414556 0.82 TRPV1 (0.50) TRPV1HSD11B1ALDH1A1HTR2CFAAH
SCHEMBL13408189 0.81 KMT2A (0.68) TRPV1HSD11B1MEN1KMT2ARBP4
SCHEMBL22063182 0.81 EPHX2 (0.55) TRPV1HSD11B1HTR2CFAAHAVPR1A
SCHEMBL3436370 0.80 DRD4 (0.59) TRPV1HTR2CDRD4MCHR1OPRL1
SCHEMBL14412952 0.80 MEN1 (0.71) ALDH1A1HTR2CDRD4MEN1KMT2A
SCHEMBL3436365 0.79 GPR119 (0.58) TRPV1FAAHMEN1KMT2AKDM4E

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 3/4885HSD11B1 3972/4885ALDH1A1 975/4885

“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.