SCHEMBL22920409

SCHEMBL22920409

CC(C)C1CCN(C(C)CCC(C)N2CC3CN(C(C)C)CC3C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.38
OPRM1 P35372 3/20 0.38
SIGMAR1 Q99720 2/20 0.30

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
SCHEMBL22901352 0.87 OPRL1 (0.37) OPRL1OPRM1SIGMAR1
SCHEMBL22221915 0.83 OPRM1 (0.33) OPRL1OPRM1
SCHEMBL23847242 0.81 OPRM1 (0.34) OPRL1OPRM1
SCHEMBL19426013 0.81 OPRM1 (0.34) OPRL1OPRM1
SCHEMBL25129589 0.80 OPRM1 (0.35) OPRL1OPRM1SIGMAR1
SCHEMBL25090277 0.79 OPRM1 (0.36) OPRL1OPRM1SIGMAR1
SCHEMBL27065392 0.79 OPRL1 (0.38) OPRL1OPRM1SIGMAR1
SCHEMBL24250686 0.78 OPRL1 (0.36) OPRL1OPRM1SIGMAR1
SCHEMBL19152235 0.78 OPRM1 (0.33) OPRL1OPRM1SIGMAR1
SCHEMBL24538124 0.77 OPRM1 (0.31) OPRL1OPRM1

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-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2021-08-12 US disclosed
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2021-01-28 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 (2 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-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 OPRL1 4238/4885OPRM1 4710/4885SIGMAR1 4815/4885
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 OPRL1 4380/4885OPRM1 4579/4885SIGMAR1 3593/4885

“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.