SCHEMBL22472932

SCHEMBL22472932

CCOC(=O)N1C(C)CC(N2CCC3(CC2)C(=O)Nc2ccccc23)CC1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.45
OPRK1 P41145 3/20 0.45
OPRL1 P41146 2/20 0.45
HTR1A P08908 8/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 6/20 0.40
HTR7 P34969 6/20 0.40
HTR6 P50406 6/20 0.40
BACE1 P56817 3/20 0.40

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
SCHEMBL12084308 0.90 CHRM1 (0.49) OPRM1OPRK1OPRL1HTR1ACHRM4
SCHEMBL22472939 0.90 BACE1 (0.46) OPRM1OPRK1OPRL1HTR1AALDH1A1
SCHEMBL31288693 0.87 OPRM1 (0.43) OPRM1OPRK1OPRL1HTR1AALDH1A1
SCHEMBL22449305 0.87 OPRM1 (0.43) OPRM1OPRK1OPRL1HTR1AALDH1A1
SCHEMBL12084233 0.83 CHRM1 (0.53) OPRM1OPRK1OPRL1ALDH1A1GAA
SCHEMBL12084376 0.81 OPRL1 (0.44) OPRM1OPRK1OPRL1HTR1ACHRM4
SCHEMBL13643886 0.80 OPRL1 (0.45) OPRM1OPRK1OPRL1HTR1AHTR2A
SCHEMBL13640964 0.78 OPRM1 (0.48) OPRM1OPRK1OPRL1HTR1AALDH1A1
SCHEMBL12084263 0.78 OPRL1 (0.48) OPRM1OPRK1OPRL1HTR1AALDH1A1
SCHEMBL30507197 0.78 OPRM1 (0.53) OPRM1OPRK1OPRL1HTR1AHTR2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787447-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2020-09-29 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-10787447-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 OPRM1 39/4885OPRK1 141/4885OPRL1 74/4885

“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.