SCHEMBL3436734

SCHEMBL3436734

CCC(=O)OC1CCN(c2ncc(C)cc2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.43
ACACB O00763 3/20 0.41
HRH3 Q9Y5N1 1/20 0.39
SMO Q99835 4/20 0.39
SSTR4 P31391 1/20 0.39
GPR6 P46095 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL3436735 0.88 OPRK1 (0.43) OPRK1ACACBHRH3SMOMAPT
SCHEMBL3436535 0.80 HRH3 (0.47) HRH3KMT2A
SCHEMBL3561809 0.79 MAPT (0.58) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL3436736 0.76 OPRK1 (0.41) OPRK1ACACBSMOGPR6
SCHEMBL3557685 0.76 KDM4E (0.52) OPRK1CYP2C19GAAKDM4E
SCHEMBL20135640 0.75 SSTR2 (0.47) OPRK1SMO
SCHEMBL3436555 0.75 ALDH1A1 (0.53) OPRK1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL5252865 0.73 OPRK1 (0.46) OPRK1ACACBHRH3MAPTCYP2C9
SCHEMBL22322387 0.73 ACACB (0.38) OPRK1ACACBHRH3MAPTCYP2C9
SCHEMBL19049948 0.72 CHRM4 (0.54) ACACBGPR6

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 237/4885ACACB 3203/4885HRH3 338/4885

“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.