SCHEMBL3436631

SCHEMBL3436631

Cc1ccccc1C1CCCN(CC(N)=O)C1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD11B1 P28845 1/20 0.46
DRD4 P21917 1/20 0.45
HSP90AA1 P07900 4/20 0.44
HSP90AB1 P08238 4/20 0.44
OPRL1 P41146 1/20 0.42
OGFRL1 Q5TC84 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL3436380 0.92 DRD4 (0.52) PROKR1HSD11B1DRD4HSP90AA1HSP90AB1
SCHEMBL3436624 0.91 DRD4 (0.55) PROKR1KDM4EHSD11B1DRD4HSP90AA1
SCHEMBL3435103 0.85 OPRL1 (0.43) DRD4OPRL1OGFRL1
SCHEMBL3436370 0.85 DRD4 (0.59) DRD4OPRL1
SCHEMBL28853811 0.79 PTPN11 (0.43)
SCHEMBL13999718 0.78 KDM4E (0.47) PROKR1KDM4EHSD11B1DRD4
SCHEMBL3436379 0.77 HSD11B1 (0.58) PROKR1HSD11B1DRD4MAPT
SCHEMBL4356330 0.76 CYP3A4 (0.45) KDM4EDRD4
SCHEMBL3436055 0.76 DRD4 (0.41) DRD4OPRL1OGFRL1
SCHEMBL13416028 0.73 KDM4E (0.49) PROKR1KDM4E

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 4 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

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 PROKR1 987/4885KDM4E 1834/4885HSD11B1 3972/4885

“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.