SCHEMBL3436624

SCHEMBL3436624

Cc1ccccc1C1CCCN(CC(N)=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.55
OPRL1 P41146 3/20 0.45
KCNH2 Q12809 1/20 0.45
HSP90AA1 P07900 4/20 0.43
HSP90AB1 P08238 4/20 0.43
OPRM1 P35372 2/20 0.43
MCHR1 Q99705 1/20 0.42
HSD11B1 P28845 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
PROKR1 Q8TCW9 2/20 0.42
KDM4E B2RXH2 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
SCHEMBL3436370 0.95 DRD4 (0.59) DRD4OPRL1KCNH2OPRM1MCHR1
SCHEMBL3436631 0.91 PROKR1 (0.47) DRD4OPRL1HSP90AA1HSP90AB1HSD11B1
SCHEMBL3436380 0.88 DRD4 (0.52) DRD4OPRL1KCNH2HSP90AA1HSP90AB1
SCHEMBL3436055 0.85 DRD4 (0.41) DRD4OPRL1
SCHEMBL3436049 0.79 CYP2C19 (0.44) DRD4KDM4E
Hydrochloric Acid SCHEMBL2078695 0.78 CYP2C19 (0.43) DRD4KDM4E
SCHEMBL520958 0.77 DRD4 (0.47) DRD4
SCHEMBL4185437 0.77 DRD2 (0.63) DRD4
SCHEMBL3436627 0.76 DRD4 (0.48) DRD4OPRL1KCNH2OPRM1
SCHEMBL3436615 0.76 OPRL1 (0.50) DRD4OPRL1KCNH2OPRM1

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 DRD4 4535/4885OPRL1 51/4885KCNH2 2075/4885

“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.