SCHEMBL2945182

SCHEMBL2945182

CCOC(=O)CNc1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 1/20 0.52
CYP3A4 P08684 1/20 0.51
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 3/20 0.47
AGTR1 P30556 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
EPHX1 P07099 1/20 0.46
EPHX2 P34913 1/20 0.46
APEX1 P27695 1/20 0.44

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
SCHEMBL14625973 0.88 CYP3A4 (0.49) POLBALDH1A1KMT2AHPGDCYP3A4
SCHEMBL3179185 0.87 ALDH1A1 (0.52) POLBALDH1A1KMT2AHPGDHTT
SCHEMBL29894703 0.87 TSHR (0.55) POLBALDH1A1KMT2AHTTKDM4E
SCHEMBL696237 0.87 TSHR (0.55) POLBALDH1A1KMT2AHTTKDM4E
SCHEMBL4072785 0.85 L3MBTL1 (0.57) POLBALDH1A1KMT2ACYP3A4SMN1; SMN2
SCHEMBL3037330 0.85 ALDH1A1 (0.50) POLBALDH1A1KMT2AHPGDCYP3A4
SCHEMBL4417208 0.84 L3MBTL1 (0.49) POLBALDH1A1KMT2AHPGDCYP3A4
SCHEMBL5866714 0.83 MAPT (0.59) POLBALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL7103648 0.82 POLB (0.46) POLBALDH1A1KMT2AHPGDHTT
SCHEMBL657243 0.82 KDM4E (0.64) POLBALDH1A1KMT2AHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104058980-A Alpha-amino beta-hydroxy amino acid derivative with optical activity and preparation method and application thereof UNIV EAST CHINA NORMAL 2014-09-24 CN claimed
CN-104058980-A Alpha-amino beta-hydroxy amino acid derivative with optical activity and preparation method and application thereof UNIV EAST CHINA NORMAL 2014-09-24 CN disclosed
US-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS GOODMAN KRISTA B 2010-10-07 US disclosed
US-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS GOODMAN KRISTA B 2010-10-07 US disclosed
US-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS GOODMAN KRISTA B 2010-10-07 US disclosed
US-7749998-B2 Morpholinyl and pyrrolidinyl analogs GLAXOSMITHKLINE LLC (US) 2010-07-06 US disclosed
US-7749998-B2 Morpholinyl and pyrrolidinyl analogs GLAXOSMITHKLINE LLC (US) 2010-07-06 US disclosed
US-7749998-B2 Morpholinyl and pyrrolidinyl analogs GLAXOSMITHKLINE LLC (US) 2010-07-06 US disclosed
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
US-20050107355-A1 Amide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-05-19 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed
US-4225617-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1980-09-30 US disclosed
US-4209524-A CENTRAL NERVOUS SYSTEM LABORATOIRE L. LAFON (FR) 1980-06-24 US disclosed
US-4209523-A TREATMENT OF THE CENTRAL NERVOUS SYSTEM LABORATOIRE L. LAFON (FR) 1980-06-24 US disclosed
US-4183951-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1980-01-15 US disclosed
US-4152458-A CENTRAL NERVOUS SYSTEM, PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1979-05-01 US disclosed
US-4151300-A CENTRAL NERVOUS SYSTEM, PSYCHOTROPIC LABORATOIRE L. LAFON (FR) 1979-04-24 US disclosed
US-4122186-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1978-10-24 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 (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-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 POLB 2368/4885ALDH1A1 4201/4885KMT2A 4436/4885
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 POLB 2368/4885ALDH1A1 4201/4885KMT2A 4436/4885
US-20050107355-A1 Amide derivatives and methods of their use HRH2, SLC10A2, ALPI POLB 2823/4885ALDH1A1 614/4885KMT2A 3693/4885

“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.