SCHEMBL3436627

SCHEMBL3436627

Cc1ccc(F)cc1C1CCN(CC(N)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.48
DRD2 P14416 4/20 0.48
DRD3 P35462 1/20 0.48
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
SLC6A4 P31645 3/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL3436615 0.90 OPRL1 (0.50) DRD4CCNT1CDK9SMN1; SMN2ALDH1A1
SCHEMBL3435719 0.85 CCNT1 (0.44) DRD4DRD2CCNT1CDK9SMN1; SMN2
SCHEMBL3436234 0.83 CCNT1 (0.44) DRD4DRD2CCNT1CDK9SMN1; SMN2
SCHEMBL3436370 0.81 DRD4 (0.59) DRD4DRD2DRD3OPRM1OPRL1
SCHEMBL13548519 0.78 DRD4 (0.42) DRD4DRD2DRD3KCNH2
SCHEMBL520958 0.77 DRD4 (0.47) DRD4DRD2DRD3ALDH1A1
SCHEMBL17229666 0.77 OPRL1 (0.43) DRD4DRD2DRD3ALDH1A1NPC1
SCHEMBL3436624 0.76 DRD4 (0.55) DRD4OPRM1OPRL1KCNH2
SCHEMBL3436299 0.76 ALDH1A1 (0.51) DRD4DRD2DRD3SMN1; SMN2ALDH1A1
SCHEMBL12897882 0.75 OPRL1 (0.46) DRD2SLC6A4KMT2AOPRM1OPRL1

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 4535/4885DRD2 3571/4885DRD3 3387/4885

“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.