SCHEMBL1746541

SCHEMBL1746541

Cc1cccc2c1CCC2O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.51
KCNH2 Q12809 1/20 0.51
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
OPRM1 P35372 2/20 0.47
UGT2B17 O75795 2/20 0.46
POLL Q9UGP5 1/20 0.42
MAP3K14 Q99558 1/20 0.41
IDO1 P14902 1/20 0.39
HTR2C P28335 4/20 0.38
FFAR1 O14842 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2B P41595 1/20 0.36
S1PR1 P21453 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
SCHEMBL1151022 1.00 OPRL1 (0.51) OPRL1KCNH2ADRA2AADRA2BADRA2C
SCHEMBL30997127 1.00 OPRL1 (0.51) OPRL1KCNH2ADRA2AADRA2BADRA2C
SCHEMBL1508536 1.00 OPRL1 (0.51) OPRL1KCNH2ADRA2AADRA2BADRA2C
SCHEMBL12014020 0.90 UGT2B17 (0.58) OPRL1KCNH2ADRA2AADRA2BADRA2C
SCHEMBL5752195 0.89 UGT2B17 (0.51) OPRL1KCNH2ADRA2AADRA2BADRA2C
SCHEMBL15494638 0.84 POLL (0.41) OPRL1KCNH2ADRA2AADRA2BADRA2C
SCHEMBL3630215 0.84 POLL (0.41) OPRL1KCNH2ADRA2AADRA2BADRA2C
SCHEMBL9277764 0.84 POLL (0.41) OPRL1KCNH2ADRA2AADRA2BADRA2C
SCHEMBL30038859 0.83 UGT2B17 (0.42) OPRL1KCNH2ADRA2AADRA2BADRA2C
SCHEMBL13517902 0.80 POLL (0.44) OPRL1KCNH2OPRM1POLLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208560-A1 Indanylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-07-26 US disclosed
WO-2018109642-A1 N-ARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-21 WO disclosed
US-20180148411-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-31 US disclosed
EP-3074375-B1 NEW INDANYLOXYPHENYLCYCLOPROPANECARBOXYLIC ACIDS BOEHRINGER INGELHEIM INT (DE) 2018-04-04 EP disclosed
EP-2046714-B1 Cyclopentane derivatives as antiglaucoma agents ALLERGAN INC (US) 2015-12-09 EP disclosed
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 EP disclosed
CN-103649101-A Catalyst and process for preparing same BOREALIS AG 2014-03-19 CN disclosed
US-8569349-B2 Therapeutic compounds ALLERGAN, INC. (US) 2013-10-29 US disclosed
US-8338637-B2 Glaucoma; prostaglandin receptor modulators; cyclopentyl compounds such as 5-{3-[(1S,5S)-5-(3-Chloro-5-hydroxymethyl-phenoxymethyl)-4-oxo-cyclopent-2-enyl]-propyl}-thiophene-2-carboxylic acid ALLERGAN, INC. (US) 2012-12-25 US disclosed
US-8309739-B2 Chemical compounds SYNGENTA LIMITED (GB) 2012-11-13 US disclosed
WO-2007020377-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2007-02-22 WO disclosed
WO-2007020377-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2007-02-22 WO disclosed
EP-1250342-B1 BRIDGED METALLOCENE COMPOUNDS AS OLEFIN-POLYMERIZATION CATALYSTS POLIMERI EUROPA SPA (IT) 2006-06-28 EP disclosed
US-6984703-B1 Bridged metallocene compounds as olefin-polymerization catalysts POLIMERI EUROPA S.P.A. (IT) 2006-01-10 US disclosed
WO-2005103055-A1 PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO-[1,5-c]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2005-11-03 WO disclosed
EP-1559422-A1 RECEPTOR FUNCTION CONTROLLING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
EP-1250342-A1 BRIDGED METALLOCENE COMPOUNDS AS OLEFIN-POLYMERIZATION CATALYSTS Polimeri Europa S.p.A. (IT) 2002-10-23 EP disclosed
WO-2001040238-A1 BRIDGED METALLOCENE COMPOUNDS AS OLEFIN-POLYMERIZATION CATALYSTS POLIMERI EUROPA S.P.A. (IT) 2001-06-07 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 (3 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-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 OPRL1 125/4885KCNH2 211/4885ADRA2A 11/4885
US-20180208560-A1 Indanylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR55, GPR65 OPRL1 89/4885KCNH2 1340/4885ADRA2A 141/4885
US-20180148411-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GPR119, GPR65, GPR55 OPRL1 103/4885KCNH2 1765/4885ADRA2A 144/4885

“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.