SCHEMBL4599737

SCHEMBL4599737

[CH]1CC1(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
MAOB P27338 7/20 0.39
MAOA P21397 4/20 0.39
PNMT P11086 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC4 P56524 1/20 0.37
DPP4 P27487 1/20 0.36

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
SCHEMBL28719542 0.85 TSHR (0.43) OPRM1OPRK1OPRL1MAOBMAOA
SCHEMBL9543164 0.82 TACR1 (0.36) OPRM1OPRK1OPRL1MEN1KMT2A
SCHEMBL22436670 0.77 OPRM1 (0.42) OPRM1OPRK1OPRL1MAOBMAOA
SCHEMBL1610186 0.71 OPRM1 (0.42) OPRM1OPRK1OPRL1MAOBMAOA
SCHEMBL6426369 0.71 MAOB (0.46) OPRM1OPRK1OPRL1MAOBMAOA
SCHEMBL2283117 0.69 HDAC4 (0.34) OPRM1OPRK1OPRL1MAOBMAOA
SCHEMBL10876622 0.65 OPRM1 (0.41) OPRM1OPRK1OPRL1MAOBMAOA
SCHEMBL5480380 0.65 OPRM1 (0.41) OPRM1OPRK1OPRL1MAOBMAOA
SCHEMBL2256573 0.65 OPRM1 (0.67) OPRM1OPRK1OPRL1MAOBMAOA
SCHEMBL18662200 0.65 OPRM1 (0.52) OPRM1OPRK1OPRL1MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110128270-B 2, 2-diphenyl cyclopropyl compound and synthetic method thereof 郑州手性药物研究院有限公司 2022-05-24 CN claimed
CN-110128270-B 2, 2-diphenyl cyclopropyl compound and synthetic method thereof 郑州手性药物研究院有限公司 2022-05-24 CN disclosed
CN-110128270-B 2, 2-diphenyl cyclopropyl compound and synthetic method thereof 郑州手性药物研究院有限公司 2022-05-24 CN disclosed
CN-110128270-B 2, 2-diphenyl cyclopropyl compound and synthetic method thereof 郑州手性药物研究院有限公司 2022-05-24 CN disclosed
CN-110128341-A A kind of chiral 2,2 '-bipyridine ligand and preparation method thereof and preparing the application in chiral cyclopropane derivative 西安交通大学 2019-08-16 CN disclosed
CN-110128270-A 2,2- hexichol cyclopropyl class compound and its synthetic method 郑州手性药物研究院有限公司 2019-08-16 CN disclosed
US-20150065738-A1 PHOSPHOROUS COMPOUND AND TRANSITION METAL COMPLEX THEREOF TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-03-05 US disclosed
EP-2842959-A1 Phosphorous compound and transition metal complex thereof Takasago International Corporation (JP) 2015-03-04 EP disclosed
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO disclosed
EP-0581789-A1 NOVEL 2-SPIROCYCLOPROPYL CEPHALOSPORIN SULFONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF SYNPHAR LABORATORIES INC. (CA) 1994-02-09 EP disclosed
WO-1993015100-A1 NOVEL ADENOSINE DERIVATIVES, THEIR PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRES UPSA (FR) 1993-08-05 WO disclosed
EP-0054917-A2 6- and 4-Substituted-1-azabicyclo(3.2.0)heptan-3,7-dione-2-carboxylates MERCK & CO. INC. (US) 1982-06-30 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 (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-20150065738-A1 PHOSPHOROUS COMPOUND AND TRANSITION METAL COMPLEX THEREOF AP2M1, AP1M1, APBA1 OPRM1 1965/4885OPRK1 3548/4885OPRL1 3425/4885

“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.