SCHEMBL451775

SCHEMBL451775

Nc1ccc2c(c1)C1CCC2C1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.68
CHRNA4 P43681 9/20 0.68
CHRNB4 P30926 6/20 0.38
CHRNA3 P32297 6/20 0.38
RARG P13631 2/20 0.37
RARB P10826 1/20 0.37
CYP3A4 P08684 1/20 0.36
CASP1 P29466 1/20 0.36
RECQL P46063 1/20 0.36
CHRNA1 P02708 2/20 0.35
CHRNG P07510 2/20 0.35
CHRNB1 P11230 2/20 0.35
CHRND Q07001 2/20 0.35
TAAR1 Q96RJ0 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL2916099 0.91 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3RARG
SCHEMBL23567637 0.91 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3CYP3A4
SCHEMBL6937141 0.91 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3CYP3A4
SCHEMBL2913382 0.84 CHRNB2 (0.55) CHRNB2CHRNA4CYP3A4CASP1RECQL
SCHEMBL2061289 0.81 CHRNB2 (0.79) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL29761232 0.81 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL2062192 0.81 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL30015099 0.80 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3CYP3A4
SCHEMBL25989709 0.80 CHRNB2 (0.55) CHRNB2CHRNA4CYP3A4CASP1RECQL
SCHEMBL23530199 0.80 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104151132-B The preparation method of amine 先正达参股股份有限公司 2016-07-06 CN disclosed
EP-2297105-B1 SUBSTITUTED AMIDES, METHOD OF MAKING, AND USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2015-09-02 EP disclosed
EP-2316809-B1 Process for the preparation of benzonorbornane derivatives SYNGENTA PARTICIPATIONS AG (CH) 2014-06-18 EP disclosed
US-8680337-B2 Process for the production of amides Sungenta Limited (GB) 2014-03-25 US disclosed
US-20130253225-A1 PROCESS FOR THE PRODUCTION OF AMIDES SYNGENTA LIMITED (GB) 2013-09-26 US disclosed
US-8436037-B2 Process for the production of amides SYNGENTA LIMITED (GB) 2013-05-07 US disclosed
EP-2316813-B1 Process for the preparation of amines SYNGENTA PARTICIPATIONS AG (CH) 2013-04-03 EP disclosed
EP-1928838-B1 PROCESS FOR THE PRODUCTION OF AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-10-24 EP disclosed
EP-1963251-B1 PROCESS FOR THE PREPARATION OF AMINES SYNGENTA PARTICIPATIONS AG (CH) 2012-08-15 EP disclosed
US-20120065239-A1 PROCESS FOR THE PRODUCTION OF AMIDES SYNGENTA LIMITED (GB) 2012-03-15 US disclosed
US-7781615-B2 Process for the preparation of amines SYNGENTA CROP PROTECTION, INC. (US) 2010-08-24 US disclosed
US-20090221856-A1 PROCESS FOR THE PREPARATION OF AMINES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 US disclosed
US-20090163569-A1 PROCESS FOR THE PRODUCTION OF AMIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-06-25 US disclosed
EP-2066617-A1 PROCESS FOR THE PRODUCTION OF AROMATIC AMINES IN THE PRESENCE OF A PALLADIUM COMPLEX COMPRISING A FERROCENYL BIPHOSPHINE LIGAND Syngeta Participations AG (CH) 2009-06-10 EP disclosed
EP-2014642-A1 Process for the production of amines Syngeta Participations AG (CH) 2009-01-14 EP disclosed
EP-1963251-A2 PROCESS FOR THE PREPARATION OF AMINES Syngeta Participations AG (CH) 2008-09-03 EP disclosed
EP-1928838-A1 PROCESS FOR THE PRODUCTION OF AMIDES Syngeta Participations AG (CH) 2008-06-11 EP disclosed
WO-2008017443-A1 PROCESS FOR THE PRODUCTION OF AROMATIC AMINES IN THE PRESENCE OF A PALLADIUM COMPLEX COMPRISING A FERROCENYL BIPHOSPHINE LIGAND SYNGENTA PARTICIPATIONS AG (CH) 2008-02-14 WO disclosed
WO-2007068417-A2 PROCESS FOR THE PREPARATION OF AMINES SYNGENTA PARTICIPATIONS AG (CH) 2007-06-21 WO disclosed
WO-2007031323-A1 PROCESS FOR THE PRODUCTION OF AMIDES SYNGENTA PARTICIPATIONS AG. (CH) 2007-03-22 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 (4 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-20120065239-A1 PROCESS FOR THE PRODUCTION OF AMIDES CFH, C5, CFB CHRNB2 3072/4885CHRNA4 3201/4885CHRNB4 2861/4885
US-20130253225-A1 PROCESS FOR THE PRODUCTION OF AMIDES CFH, C5, CFB CHRNB2 3175/4885CHRNA4 3287/4885CHRNB4 2973/4885
US-20090221856-A1 PROCESS FOR THE PREPARATION OF AMINES HRH3, PAH, C1R CHRNB2 1403/4885CHRNA4 2734/4885CHRNB4 2479/4885
US-20090163569-A1 PROCESS FOR THE PRODUCTION OF AMIDES C5, CFH, C9 CHRNB2 2716/4885CHRNA4 3024/4885CHRNB4 2724/4885

“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.