SCHEMBL22472939

SCHEMBL22472939

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.46
OPRM1 P35372 5/20 0.44
OPRL1 P41146 5/20 0.44
OPRK1 P41145 4/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
HTR1A P08908 6/20 0.40
HTR2A P28223 3/20 0.39
HTR7 P34969 3/20 0.39
HTR6 P50406 3/20 0.39
CALCRL Q16602 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
SCHEMBL22472932 0.90 OPRM1 (0.45) BACE1OPRM1OPRL1OPRK1ALDH1A1
SCHEMBL31288712 0.87 BACE1 (0.44) BACE1OPRM1OPRL1OPRK1ALDH1A1
SCHEMBL22449309 0.87 BACE1 (0.44) BACE1OPRM1OPRL1OPRK1ALDH1A1
SCHEMBL12084308 0.79 CHRM1 (0.49) OPRM1OPRL1OPRK1HTR1AHTR2A
SCHEMBL12084263 0.79 OPRL1 (0.48) BACE1OPRM1OPRL1OPRK1ALDH1A1
SCHEMBL30507197 0.79 OPRM1 (0.53) BACE1OPRM1OPRL1OPRK1HTR1A
SCHEMBL30507191 0.79 OPRM1 (0.53) BACE1OPRM1OPRL1OPRK1HTR1A
SCHEMBL12084376 0.78 OPRL1 (0.44) BACE1OPRM1OPRL1OPRK1HTR1A
SCHEMBL12084836 0.78 OPRL1 (0.46) BACE1OPRM1OPRL1OPRK1ALDH1A1
SCHEMBL12084317 0.77 OPRL1 (0.47) BACE1OPRM1OPRL1OPRK1HTR1A

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 BACE1 1018/4885OPRM1 39/4885OPRL1 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.