SCHEMBL3559368

SCHEMBL3559368

COC(=O)C1(O)CCN(c2ncc(F)cc2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.42
CHRM1 P11229 7/20 0.40
PDE10A Q9Y233 3/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
MAPT P10636 2/20 0.36
AGBL2 Q5U5Z8 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM3 P20309 2/20 0.35
DHODH Q02127 2/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 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
SCHEMBL3435696 0.86 OPRK1 (0.42) OPRK1MAPTCHRM4ADORA2AADORA1
SCHEMBL3436542 0.86 CHRM1 (0.41) OPRK1CHRM1PDE10APDE4APDE4B
SCHEMBL3436544 0.85 CHRM1 (0.41) OPRK1CHRM1PDE10APDE4APDE4B
SCHEMBL10277351 0.82 OPRK1 (0.45) OPRK1MAPT
SCHEMBL3436768 0.77 TRPV1 (0.48) TRPV1
SCHEMBL3436547 0.76 CHRM1 (0.40) OPRK1CHRM1PDE10APDE4APDE4B
SCHEMBL3558844 0.76 KIF18A (0.36) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL10278274 0.73 TRPV1 (0.45) TRPV1
SCHEMBL10278139 0.71 KDM4E (0.50) OPRK1CHRM1AGBL2
SCHEMBL24225600 0.71 P2RY12 (0.43) 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 3 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
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 OPRK1 237/4885CHRM1 555/4885PDE10A 1903/4885

“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.