SCHEMBL102342

SCHEMBL102342

CC(=O)NCc1ccccc1Br

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.61
▸ KMT2A Q03164 4/20 0.57
▸ ALDH1A1 P00352 2/20 0.54
▸ RAB9A P51151 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ ANPEP P15144 1/20 0.52
▸ SETDB1 Q15047 1/20 0.51
▸ P2RX7 Q99572 4/20 0.50
▸ MAPT P10636 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MTNR1A P48039 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ EPHX2 P34913 1/20 0.45

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
SCHEMBL14204990 0.86 SETDB1 (0.59) KMT2AALDH1A1RAB9ANPC1SETDB1
SCHEMBL31426228 0.85 RIPK1 (0.58) RIPK1KMT2AALDH1A1RAB9ANPC1
SCHEMBL2456852 0.82 KMT2A (0.58) RIPK1KMT2AALDH1A1RAB9ANPC1
SCHEMBL533866 0.81 MTNR1A (0.61) KMT2ALMNAMTNR1APKMMEN1
SCHEMBL2905338 0.81 RIPK1 (0.62) RIPK1KMT2AALDH1A1RAB9ANPC1
SCHEMBL29639573 0.81 RIPK1 (0.58) RIPK1KMT2AALDH1A1RAB9ANPC1
SCHEMBL29686650 0.81 MTNR1A (0.61) KMT2ALMNAMTNR1APKMMEN1
SCHEMBL30259906 0.81 RIPK1 (0.62) RIPK1KMT2AALDH1A1RAB9ANPC1
SCHEMBL2904265 0.81 ANPEP (0.61) RIPK1KMT2AALDH1A1RAB9ANPC1
SCHEMBL5797350 0.81 KMT2A (0.57) RIPK1KMT2AALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 — — US disclosed
EP-2426125-B1 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors JANSSEN PHARMACEUTICALS INC (US) 2015-12-02 — — EP disclosed
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors JANSSEN PHARMACEUTICALS INC (US) 2014-10-23 — — US disclosed
US-8841323-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2014-09-23 — — US disclosed
EP-2190811-B1 RENIN INHIBITORS MERCK CANADA INC (CA) 2013-08-07 — — EP disclosed
EP-1994004-B9 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2013-04-17 — — EP disclosed
US-8334308-B2 Renin inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 — — US disclosed
US-8334308-B2 Renin inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 — — US disclosed
US-8334308-B2 Renin inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 — — US disclosed
EP-1994004-B1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2012-08-01 — — EP disclosed
CN-100503551-C Process for producing benzylamine derivative IHARA CHEMICAL IND CO (JP) 2009-06-24 — — CN disclosed
CN-101400654-A 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2 receptors ORTHO MCNEIL JANSSEN PHARM (US) 2009-04-01 — — CN disclosed
WO-2009023964-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-02-26 — — WO disclosed
WO-2009023964-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-02-26 — — WO disclosed
US-7326813-B2 Process for producing benzylamine derivative IHARA CHEMICAL INDUSTRY (JP) 2008-02-05 — — US disclosed
US-20060155141-A1 Process for producing benzylamine derivative ITO AKINORI 2006-07-13 — — US disclosed
CN-1802343-A Process for producing benzylamine derivative IHARA CHEMICAL IND CO (JP) 2006-07-12 — — CN disclosed
EP-1586552-A1 PROCESS FOR PRODUCING BENZYLAMINE DERIVATIVE IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-10-19 — — EP disclosed
US-5039673-A Anticoagulants, bronchodilators, vasodilators GLAXO GROUP LIMITED (GB) 1991-08-13 — — US disclosed
EP-0296802-A1 Aminocyclopentyl ethers and their preparation and pharmaceutical formulation GLAXO GROUP LIMITED (GB) 1988-12-28 — — EP 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 (2 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-20060155141-A1 Process for producing benzylamine derivative BRD7, BRD1, BRD2 RIPK1 4019/4885KMT2A 404/4885ALDH1A1 2660/4885
US-20140315903-A1 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors GRM2, GRM1, GRM3 RIPK1 897/4885KMT2A 1837/4885ALDH1A1 2839/4885

“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.

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