SCHEMBL8084874

SCHEMBL8084874

CC1CCC(O)(C(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
HSD11B1 P28845 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 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
SCHEMBL21141618 1.00 OPRM1 (0.33) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL6113870 0.85
SCHEMBL18888240 0.85 CYP1A2 (0.31)
SCHEMBL16750086 0.79 OPRM1 (0.33) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL16840149 0.79 OPRM1 (0.33) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL13741013 0.79 OPRM1 (0.33) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL13011356 0.77 OPRM1 (0.32) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL10126912 0.77 OPRL1 (0.32) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL130746 0.76
Hydrochloric Acid SCHEMBL282226 0.75 OPRL1 (0.32) OPRM1OPRD1OPRK1OPRL1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207300-A1 COMBINATION THERAPIES INCLUDING MYT1 INHIBITORS SINAI HEALTH SYSTEM (CA) 2024-06-27 US disclosed
EP-3148693-B1 CYCLIC BENT ALLENE METAL COMPLEXES GOVERNING COUNCIL UNIV TORONTO (CA) 2019-07-17 EP disclosed
US-9145391-B2 Bipyridylaminopyridines as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2015-09-29 US disclosed
CN-104098434-A 1-isopropyl-4-methylcyclohexane product and preparation method thereof INST CHEM IND FOREST PROD CAF 2014-10-15 CN disclosed
US-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-09-04 US disclosed
EP-0758013-B1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL CO LTD (JP) 2000-10-11 EP disclosed
US-5855971-A Liquid crystalline optical film, compensating film for liquid crystal display comprising the liquid crystalline optical film, and liquid crystal display having the compensating film NIPPON OIL COMPANY, LIMITED (JP) 1999-01-05 US disclosed
EP-0758013-A1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL COMPANY, LIMITED (JP) 1997-02-12 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 (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-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS SYK, BTK, LCK OPRM1 2922/4885OPRD1 2347/4885OPRK1 945/4885
US-20240207300-A1 COMBINATION THERAPIES INCLUDING MYT1 INHIBITORS WEE2, WEE1, KAT2A OPRM1 3886/4885OPRD1 4108/4885OPRK1 3614/4885

“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.