SCHEMBL10119962

SCHEMBL10119962

CC(C)C1CCN(C2CCC(O)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 19/20 0.43
OPRM1 P35372 15/20 0.43
OPRK1 P41145 11/20 0.43
OPRD1 P41143 7/20 0.43
SHBG P04278 1/20 0.39
KCNH2 Q12809 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
SCHEMBL824131 0.89 OPRL1 (0.49) OPRL1OPRM1OPRK1OPRD1
SCHEMBL24585209 0.85 OPRM1 (0.54) OPRL1OPRM1OPRK1OPRD1
SCHEMBL21266983 0.82 SHBG (0.44) OPRL1OPRM1OPRK1OPRD1SHBG
SCHEMBL10217125 0.81 OPRL1 (0.39) OPRL1OPRM1OPRK1OPRD1SHBG
SCHEMBL24172197 0.81 OPRL1 (0.48) OPRL1OPRM1OPRK1OPRD1
SCHEMBL20756734 0.81 OPRL1 (0.48) OPRL1OPRM1OPRK1OPRD1
SCHEMBL760258 0.80 OPRM1 (0.46) OPRL1OPRM1OPRK1OPRD1
SCHEMBL9976590 0.80 OPRM1 (0.50) OPRL1OPRM1OPRK1OPRD1
SCHEMBL10216742 0.80 OPRL1 (0.45) OPRL1OPRM1OPRK1OPRD1
SCHEMBL10216748 0.80 OPRL1 (0.45) OPRL1OPRM1OPRK1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 US disclosed
US-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 US disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 US disclosed
US-8293736-B2 Purine compounds selective for PI3K P110 delta, and methods of use F. HOFFMANN LA ROCHE AG (CH) 2012-10-23 US disclosed
US-8293736-B2 Purine compounds selective for PI3K P110 delta, and methods of use F. HOFFMANN LA ROCHE AG (CH) 2012-10-23 US disclosed
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US disclosed
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 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 (4 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-11174252-B2 Heterocyclic compounds as kinase inhibitors CDK6, CDK4, CDK9 OPRL1 4499/4885OPRM1 4718/4885OPRK1 2933/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 OPRL1 4611/4885OPRM1 4688/4885OPRK1 3823/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 OPRL1 4611/4885OPRM1 4688/4885OPRK1 3823/4885
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG OPRL1 1269/4885OPRM1 991/4885OPRK1 925/4885

“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.