SCHEMBL3436632

SCHEMBL3436632

Cc1cccc(F)c1C1CCN(CC(N)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.48
SMN1; SMN2 Q16637 1/20 0.42
TLR9 Q9NR96 2/20 0.42
TLR8 Q9NR97 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
OPRM1 P35372 4/20 0.41
SCN9A Q15858 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
OPRL1 P41146 1/20 0.39

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
SCHEMBL3436191 0.86 DRD4 (0.43) DRD4SMN1; SMN2TLR9TLR8TLR7
SCHEMBL30852188 0.83 KDM4E (0.46) DRD4SMN1; SMN2OPRM1MEN1KMT2A
SCHEMBL3436370 0.79 DRD4 (0.59) DRD4OPRM1DRD2DRD3OPRL1
SCHEMBL3436615 0.77 OPRL1 (0.50) DRD4SMN1; SMN2OPRM1SCN9ACCNT1
SCHEMBL3466609 0.77 HSD11B1 (0.44) KMT2A
SCHEMBL3436297 0.77 KMT2A (0.47) MEN1KMT2AALDH1A1
SCHEMBL17229672 0.76 HSD11B1 (0.43) SMN1; SMN2OPRM1MEN1KMT2AALDH1A1
SCHEMBL16950778 0.75 ABCB1 (0.51) ALDH1A1OPRL1
SCHEMBL4776252 0.75 PTGDR2 (0.44) DRD4SMN1; SMN2ALDH1A1DRD2DRD3
SCHEMBL3436380 0.75 DRD4 (0.52) DRD4OPRM1ALDH1A1OPRL1

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 4535/4885SMN1; SMN2 3601/4885TLR9 1901/4885

“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.