SCHEMBL4064144

SCHEMBL4064144

OC1(c2ccccn2)CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
OPRK1 P41145 1/20 0.55
OPRL1 P41146 1/20 0.55
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54
HSD11B1 P28845 2/20 0.46
HRH3 Q9Y5N1 1/20 0.44
CCR1 P32246 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
SLC6A2 P23975 1/20 0.39
CNR2 P34972 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
SCHEMBL31221485 1.00 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1GRIN1
SCHEMBL765328 1.00 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1GRIN1
SCHEMBL29980976 0.98 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1GRIN1
SCHEMBL537135 0.98 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1GRIN1
SCHEMBL29980665 0.94 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1GRIN1
SCHEMBL536677 0.94 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1GRIN1
SCHEMBL24455261 0.90 OPRM1 (0.60) OPRM1OPRD1OPRK1OPRL1GRIN1
SCHEMBL2265705 0.82 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1GRIN1
SCHEMBL536557 0.81 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1GRIN1
SCHEMBL171507 0.81 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5969166-A RUTHENIUM OR MOLYBDENUM CATALYSTS FOR EPOXIDATION OF ALKENES WITH OXYGEN HOECHST AKTIENGESELLSCHAFT (DE) 1999-10-19 US claimed
EP-0869843-A1 EPOXIDES PRODUCED BY THE OXIDATION OF OLEFINES WITH AIR OR OXYGEN HOECHST AKTIENGESELLSCHAFT (DE) 1998-10-14 EP claimed
WO-1996020788-A1 EPOXIDES PRODUCED BY THE OXIDATION OF OLEFINES WITH AIR OR OXYGEN HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-11 WO claimed
US-8383638-B2 Aminobenzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME (US) 2013-02-26 US disclosed
US-20120264761-A1 Aminobenzoquinazolinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2012-10-18 US disclosed
EP-2010506-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007122103-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-01 WO disclosed
EP-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 EP disclosed
CN-1303382-A Epoxidation process for aryl allyl ethers DOW CHEMICAL CO (US) 2001-07-11 CN disclosed
EP-1080084-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 2001-03-07 EP disclosed
US-6087513-A REACTION OF ALLYL ARYL ETHER WITH HYDROGEN PEROXIDE IN THE PRESENCE OF TRANSITION METALS FOR OXIDATION THE DOW CHEMICAL COMPANY (US) 2000-07-11 US disclosed
WO-1999062894-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 1999-12-09 WO disclosed
US-5969166-A RUTHENIUM OR MOLYBDENUM CATALYSTS FOR EPOXIDATION OF ALKENES WITH OXYGEN HOECHST AKTIENGESELLSCHAFT (DE) 1999-10-19 US disclosed
EP-0869843-A1 EPOXIDES PRODUCED BY THE OXIDATION OF OLEFINES WITH AIR OR OXYGEN HOECHST AKTIENGESELLSCHAFT (DE) 1998-10-14 EP disclosed
WO-1996020788-A1 EPOXIDES PRODUCED BY THE OXIDATION OF OLEFINES WITH AIR OR OXYGEN HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-11 WO 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-20120264761-A1 Aminobenzoquinazolinone M1 Receptor Positive Allosteric Modulators CHRM1, OPRL1, MTNR1B OPRM1 5/4885OPRD1 13/4885OPRK1 8/4885

“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.