SCHEMBL3436737

SCHEMBL3436737

Cc1cc(F)cnc1N1CCC(OC=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.42
CHRM4 P08173 5/20 0.38
CHRM1 P11229 7/20 0.37
PARP1 P09874 1/20 0.37
TNK2 Q07912 1/20 0.37
TNK1 Q13470 1/20 0.37
SMO Q99835 2/20 0.36
OXTR P30559 2/20 0.36
AVPR1A P37288 2/20 0.36
SCD O00767 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
CHRM2 P08172 2/20 0.35
CHRM3 P20309 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL3436736 0.88 OPRK1 (0.41) OPRK1CHRM4SMO
SCHEMBL3552903 0.80 KMT2A (0.44) OPRK1CHRM1TRPV1
SCHEMBL3436735 0.79 OPRK1 (0.43) OPRK1CHRM4CHRM1SMOCHRM2
SCHEMBL3552005 0.79 OPRK1 (0.43) OPRK1CHRM4CHRM1SMOTRPV1
SCHEMBL10278139 0.77 KDM4E (0.50) OPRK1CHRM1
SCHEMBL3436507 0.76 KDM4E (0.51) OPRK1CHRM1
SCHEMBL3436537 0.75 ALDH1A1 (0.43) CHRM4PARP1AVPR1ASCD
SCHEMBL3555340 0.74 MAPT (0.56)
SCHEMBL21262656 0.72 KDM4E (0.47) CHRM1
SCHEMBL5540356 0.71 ALDH1A1 (0.42)

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 2 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

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 OPRK1 237/4885CHRM4 587/4885CHRM1 555/4885

“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.