SCHEMBL113189

SCHEMBL113189

Brc1cncc(OC2CCOCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CHRNB2 P17787 4/20 0.40
CHRNA4 P43681 4/20 0.40
RIPK2 O43353 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
SCHEMBL24568764 0.90 CYP11B1 (0.43) CYP11B1CYP11B2CHRNB2CHRNA4RIPK2
SCHEMBL12500664 0.88 CHRNB2 (0.44) CHRNB2CHRNA4
SCHEMBL5849238 0.84 CHRNB2 (0.46) CHRNB2CHRNA4
SCHEMBL23059886 0.84 CHRNB2 (0.46) CHRNB2CHRNA4
SCHEMBL5851052 0.83 CHRNB2 (0.45) CHRNB2CHRNA4
SCHEMBL17593809 0.80 IKBKB (0.49) CHRNB2CHRNA4
SCHEMBL12104597 0.80 SYK (0.42) CYP11B1CYP11B2CHRNB2CHRNA4RIPK2
Hydrochloric Acid SCHEMBL15206028 0.79 IKBKB (0.48) CHRNB2CHRNA4
SCHEMBL15206156 0.78 CHRNB2 (0.50) CYP11B2CHRNB2CHRNA4
SCHEMBL16217387 0.76 CNR2 (0.39) CYP11B1CYP11B2CHRNB2CHRNA4RIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2085395-A1 Arylvinylazacycloalkane compounds and methods of preparation and use thereof Targacept, Inc. (US) 2009-08-05 EP claimed
EP-2896619-A1 Salt forms of (R)-3-(E)-2-(PYRROLIDIN-3-YL)VINYL)-5-(TETRAHYDROPYRAN-4-YLOXY)PYRIDINE AND their USE Targacept, Inc. (US) 2015-07-22 EP disclosed
EP-2896619-A1 Salt forms of (R)-3-(E)-2-(PYRROLIDIN-3-YL)VINYL)-5-(TETRAHYDROPYRAN-4-YLOXY)PYRIDINE AND their USE Targacept, Inc. (US) 2015-07-22 EP disclosed
US-20150164894-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT, INC. 2015-06-18 US disclosed
US-8710055-B2 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-29 US disclosed
US-8710055-B2 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-29 US disclosed
US-20140107163-A1 SYNTHESIS AND NOVEL SALT FORMS OF (R)-3-((E)-2-(PYRROLIDIN-3-YL)VINYL)-5-(TETRAHYDROPYRAN-4-YLOXY)PYRIDINE Targecept, Inc. (US) 2014-04-17 US disclosed
US-20140107164-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT, INC. (US) 2014-04-17 US disclosed
US-20140107163-A1 SYNTHESIS AND NOVEL SALT FORMS OF (R)-3-((E)-2-(PYRROLIDIN-3-YL)VINYL)-5-(TETRAHYDROPYRAN-4-YLOXY)PYRIDINE Targecept, Inc. (US) 2014-04-17 US disclosed
US-20140107163-A1 SYNTHESIS AND NOVEL SALT FORMS OF (R)-3-((E)-2-(PYRROLIDIN-3-YL)VINYL)-5-(TETRAHYDROPYRAN-4-YLOXY)PYRIDINE Targecept, Inc. (US) 2014-04-17 US disclosed
US-7101896-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2006-09-05 US disclosed
US-7098331-B2 Arylvinylazacycloalkane compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2006-08-29 US disclosed
US-20060094732-A1 Arylvinylazacycloalkane compounds and methods of preparation and use thereof SCHMITT JEFFREY D 2006-05-04 US disclosed
EP-1601670-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF Targacept Inc. (US) 2005-12-07 EP disclosed
US-20050267111-A1 Pharmaceutical compositions and methods for use DULL GARY M 2005-12-01 US disclosed
US-6890935-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2005-05-10 US disclosed
WO-2004078752-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT INC. (US) 2004-09-16 WO disclosed
US-20040176348-A1 Arylvinylazacycloalkane compounds and methods of preparation and use thereof AVENTIS PHARMA S.A. 2004-09-09 US disclosed
WO-2002088114-A2 HETEROARYL OFEFINIC AZACYCLIC AND HETEROARYL ACETYLENIC AZACYCLIC COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS TARGACEPT, INC. (US) 2002-11-07 WO disclosed
US-20020058652-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-05-16 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 (7 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-20040176348-A1 Arylvinylazacycloalkane compounds and methods of preparation and use thereof CHRNA5, OPRK1, CHRNA6 CYP11B1 307/4885CYP11B2 333/4885CHRNB2 7/4885
US-20050267111-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 CYP11B1 225/4885CYP11B2 169/4885CHRNB2 723/4885
US-20020058652-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 CYP11B1 225/4885CYP11B2 169/4885CHRNB2 723/4885
US-20060094732-A1 Arylvinylazacycloalkane compounds and methods of preparation and use thereof CHRNA5, OPRK1, CHRNA6 CYP11B1 307/4885CYP11B2 333/4885CHRNB2 7/4885
US-20140107164-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 CYP11B1 307/4885CYP11B2 333/4885CHRNB2 7/4885
US-20140107163-A1 SYNTHESIS AND NOVEL SALT FORMS OF (R)-3-((E)-2-(PYRROLIDIN-3-YL)VINYL)-5-(TETRAHYDROPYRAN-4-YLOXY)PYRIDINE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, REN, SRMS CYP11B1 1866/4885CYP11B2 1371/4885CHRNB2 4372/4885
US-20150164894-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 CYP11B1 307/4885CYP11B2 333/4885CHRNB2 7/4885

“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.