SCHEMBL3329262

SCHEMBL3329262

c1ccc(NC[C@H]2CCCN2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.52
POLB P06746 1/20 0.50
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
CHRNA1 P02708 1/20 0.45
CHRNG P07510 1/20 0.45
CHRNB1 P11230 1/20 0.45
CHRND Q07001 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.43
HTR6 P50406 2/20 0.42

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
SCHEMBL1116569 1.00 LTA4H (0.52) LTA4HPOLBCHRNB4CHRNA3CHRNB2
SCHEMBL1116568 1.00 LTA4H (0.52) LTA4HPOLBCHRNB4CHRNA3CHRNB2
SCHEMBL4374404 0.95 POLB (0.57) LTA4HPOLB
SCHEMBL4381640 0.93 POLB (0.56) LTA4HPOLB
SCHEMBL1751545 0.90 LTA4H (0.51) LTA4HPOLBCHRNB4CHRNA3CHRNB2
SCHEMBL4654443 0.90 LTA4H (0.51) LTA4HPOLBCHRNB4CHRNA3CHRNB2
SCHEMBL4320568 0.88 LTA4H (0.58) LTA4HPOLBCHRNB2CHRNA4
SCHEMBL13808903 0.88 LTA4H (0.58) LTA4HPOLBCHRNB2CHRNA4
SCHEMBL4324109 0.86 LTA4H (0.58) LTA4HCHRNB2CHRNA4
SCHEMBL14416942 0.84 PRKCI (0.51) LTA4HCHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103582482-B Pharmaceutically active disubstituted triazine derivatives 利德探索中心有限公司 2016-10-12 CN disclosed
US-9226929-B2 Pharmaceutically active disubstituted triazine derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
US-20140179662-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2014-06-26 US disclosed
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
CN-103582482-A Pharmaceutically active disubstituted triazine derivatives LEAD DISCOVERY CENTER GMBH 2014-02-12 CN disclosed
EP-2680852-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES Lead Discovery Center GmbH (DE) 2014-01-08 EP disclosed
US-8541593-B2 Process for making substituted 2-amino-thiazolones AMGEN INC. (US) 2013-09-24 US disclosed
US-8541593-B2 Process for making substituted 2-amino-thiazolones AMGEN INC. (US) 2013-09-24 US disclosed
US-8536345-B2 Process for making substituted 2-amino-thiazolones AMGEN INC. (US) 2013-09-17 US disclosed
WO-2012117048-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2012-09-07 WO disclosed
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same ACADIA PHARMACEUTICALS INC. 2007-01-04 US disclosed
US-20060014739-A1 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. 2006-01-19 US disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 US disclosed
EP-1242081-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2004-07-21 EP disclosed
EP-1001933-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2002-11-06 EP disclosed
EP-1242081-A1 CASPASES AND APOPTOSIS SmithKline Beecham Corporation (US) 2002-09-25 EP disclosed
US-6403792-B1 INHIBIT PRODUCTION OF CASPASE 3 AND 7 IN MAMMALS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
WO-2001022966-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-05 WO disclosed
EP-1001933-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999006367-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-11 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 (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-20060014739-A1 Androgen receptor modulators and method of treating disease using the same NR5A1, AR, CYP17A1 LTA4H 1646/4885POLB 1520/4885CHRNB4 3022/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA LTA4H 1572/4885POLB 1520/4885CHRNB4 2993/4885
US-20140179662-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES PDE5A, TESK2, PAK5 LTA4H 3928/4885POLB 2829/4885CHRNB4 3843/4885
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 LTA4H 2151/4885POLB 805/4885CHRNB4 2868/4885

“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.