SCHEMBL3436615

SCHEMBL3436615

Cc1cc(F)ccc1C1CCN(CC(N)=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.50
OPRM1 P35372 2/20 0.50
KCNH2 Q12809 2/20 0.50
DRD4 P21917 4/20 0.47
CCNT1 O60563 4/20 0.46
CDK9 P50750 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SCN9A Q15858 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL3436627 0.90 DRD4 (0.48) OPRL1OPRM1KCNH2DRD4CCNT1
SCHEMBL520958 0.85 DRD4 (0.47) DRD4ALDH1A1
SCHEMBL3436234 0.85 CCNT1 (0.44) KCNH2DRD4CCNT1CDK9SMN1; SMN2
SCHEMBL3435719 0.83 CCNT1 (0.44) KCNH2DRD4CCNT1CDK9SMN1; SMN2
SCHEMBL13999824 0.82 PROKR1 (0.51) OPRL1OPRM1DRD4SMN1; SMN2NPC1
SCHEMBL3436370 0.81 DRD4 (0.59) OPRL1OPRM1KCNH2DRD4
SCHEMBL1012565 0.79 HTR6 (0.47) DRD4
SCHEMBL13548519 0.78 DRD4 (0.42) KCNH2DRD4
SCHEMBL10277265 0.78 OPRL1 (0.52) OPRL1OPRM1KCNH2DRD4
SCHEMBL3436632 0.77 DRD4 (0.48) OPRL1OPRM1DRD4CCNT1CDK9

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-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
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 OPRL1 51/4885OPRM1 742/4885KCNH2 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.