SCHEMBL3436736

SCHEMBL3436736

Cc1cnc(N2CCC(OC=O)CC2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 0.41
GPR6 P46095 2/20 0.36
SMO Q99835 3/20 0.35
CHRM4 P08173 1/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL3436737 0.88 OPRK1 (0.42) OPRK1SMOCHRM4
SCHEMBL13999567 0.81 OPRK1 (0.44) OPRK1SMO
SCHEMBL5540356 0.78 ALDH1A1 (0.42)
SCHEMBL3436734 0.76 OPRK1 (0.43) OPRK1GPR6SMOACACB
SCHEMBL20135640 0.76 SSTR2 (0.47) OPRK1SMO
SCHEMBL19049948 0.76 CHRM4 (0.54) GPR6CHRM4ACACB
SCHEMBL5538573 0.74 ALDH1A1 (0.46)
SCHEMBL3557685 0.74 KDM4E (0.52) OPRK1
SCHEMBL19050015 0.74 CHRM4 (0.42) OPRK1SMOCHRM4
SCHEMBL12991619 0.73 CNR2 (0.50) OPRK1

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 237/4885GPR6 292/4885SMO 1636/4885

“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.