SCHEMBL632646

SCHEMBL632646

Nc1ccccc1C1(O)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PDK2 Q15119 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL7101793 1.00 OPRM1 (0.37) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL7102084 0.98 ALOX15 (0.38) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL1703171 0.94 ALOX15 (0.38) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL29710660 0.94 ALOX15 (0.38) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL2079404 0.89 ALOX15 (0.41) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL17733195 0.80 MEN1 (0.41) CYP3A4ALOX15SMN1; SMN2ADORA3SIGMAR1
SCHEMBL29484741 0.80 MEN1 (0.41) CYP3A4ALOX15SMN1; SMN2ADORA3SIGMAR1
SCHEMBL6058582 0.80 MEN1 (0.41) CYP3A4ALOX15SMN1; SMN2ADORA3SIGMAR1
SCHEMBL8222575 0.80 SIGMAR1 (0.57) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL5349864 0.79 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1SMN1; SMN2

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1901776-B1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE BOEHRINGER INGELHEIM INT (DE) 2012-02-22 EP disclosed
EP-1856070-B1 NOVEL DRUGS FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2011-07-27 EP disclosed
US-20110053926-A1 New Pharmaceutically-Active Compounds for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
EP-1911749-B1 New long-working Beta-2 agonists and their use as medicine BOEHRINGER INGELHEIM INT (DE) 2010-10-27 EP disclosed
US-20100233268-A1 POWDER FORMULATIONS FOR INHALATION CONTAINING ENANTIOMERICALLY PURE BETA-AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-16 US disclosed
US-7709474-B2 Enantiomerically pure beta agonists, manufacturing and use thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-04 US disclosed
US-7632834-B2 Long acting beta-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-15 US disclosed
EP-2094271-A2 DRUG COMBINATIONS FOR TREATING AIRWAY DISEASES Boehringer Ingelheim International GmbH (DE) 2009-09-02 EP disclosed
EP-2056836-A1 POWDER FORMULATIONS FOR INHALATION CONTAINING ENANTIOMERICALLY PURE BETA-AGONISTS Boehringer Ingelheim International GmbH (DE) 2009-05-13 EP disclosed
EP-2056837-A1 AEROSOL FORMULATION FOR THE INHALATION OF BETA-AGONISTS Boehringer Ingelheim International GmbH (DE) 2009-05-13 EP disclosed
WO-2005070908-A1 NOVEL LONG-WORKING BETA-2-AGONISTS AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-04 WO disclosed
EP-0942010-B1 Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymer SUMITOMO CHEMICAL CO (JP) 2003-06-18 EP disclosed
US-6500909-B2 CONTAINING NICKEL, PALLADIUM, RHODIUM, RUTHENIUM, OR COBALT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-31 US disclosed
US-6410741-B1 INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-20010027162-A1 Transition metal compound, catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for producing olefinic polymer HIRAHATA WATARU (JP) 2001-10-04 US disclosed
US-6242377-B1 POLYMERIZATION IN PRESENCE OF BISOXAZOLINE WITH NICKEL, COBALT, PALLADIUM, RHODIUM, RUTHENIUM, ALUMINUM AND BORON COMPLEXES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-05 US disclosed
US-6072081-A Optically active bisoxazoline compounds, production and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-06 US disclosed
EP-0942010-A1 Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-15 EP disclosed
EP-0137251-B1 BISMORPHOLINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTI-HYDROLYSIS AGENTS BAYER AG (DE) 1988-09-28 EP disclosed
EP-0137251-A2 Bismorpholines, process for their preparation and their use as anti-hydrolysis agents BAYER AG (DE) 1985-04-17 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-20100233268-A1 POWDER FORMULATIONS FOR INHALATION CONTAINING ENANTIOMERICALLY PURE BETA-AGONISTS ADRB2, ADRB3, ADRB1 OPRM1 60/4885OPRD1 25/4885OPRK1 39/4885
US-20110053926-A1 New Pharmaceutically-Active Compounds for the Treatment of Respiratory Diseases CFTR, SDHA, HRH1 OPRM1 1041/4885OPRD1 456/4885OPRK1 423/4885

“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.