Sugi Predict

Sugi Predict / Compounds / SCHEMBL311394

SCHEMBL311394

SCHEMBL311394

O=C(O)[C@H]1COCC(=O)N1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.58
▸ AGTR2 P50052 1/20 0.43
▸ EHMT2 Q96KQ7 1/20 0.41
▸ GRM6 O15303 1/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CAPN1 P07384 1/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL1190522 1.00 P2RX7 (0.58) P2RX7AGTR2EHMT2GRM6HCRTR1
SCHEMBL1005866 1.00 P2RX7 (0.58) P2RX7AGTR2EHMT2GRM6HCRTR1
SCHEMBL6179978 0.90 P2RX7 (0.57) P2RX7AGTR2EHMT2HCRTR1HCRTR2
SCHEMBL6179972 0.90 P2RX7 (0.57) P2RX7AGTR2EHMT2HCRTR1HCRTR2
SCHEMBL3333492 0.89 P2RX7 (0.56) P2RX7EHMT2HCRTR1HCRTR2MEN1
SCHEMBL10215490 0.89 P2RX7 (0.56) P2RX7EHMT2HCRTR1HCRTR2MEN1
SCHEMBL3337871 0.86 P2RX7 (0.57) P2RX7HCRTR1HCRTR2MEN1KMT2A
SCHEMBL10270030 0.86 P2RX7 (0.57) P2RX7HCRTR1HCRTR2MEN1KMT2A
SCHEMBL1177390 0.85 HCRTR1 (0.49) P2RX7HCRTR1HCRTR2MEN1KMT2A
SCHEMBL2907566 0.85 P2RX7 (0.53) P2RX7EHMT2HCRTR1HCRTR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217226-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2015-07-22 — — EP disclosed
CN-102639536-B Anhydrate forms of a pyridine derivative NERRE THERAPEUTICS LTD 2015-03-18 — — CN disclosed
CN-104244951-A PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD 2014-12-24 — — CN disclosed
US-20140323476-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2014-10-30 — — US disclosed
EP-2785348-A1 PEPTIDE DEFORMYLASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-10-08 — — EP disclosed
US-8796269-B2 Crystalline 2-(3,5-Bis(trifluoromethyl)phenyl)-N-(4-(4-fluoro-2-methylphenyl)-6-((7S,9aS)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl)pyridin-3-yl)-N,2-dimethyl-propanamide of the formula (I), their use in therapy, and process for the preparation of the same NERRE THERAPEUTICS LIMITED (GB) 2014-08-05 — — US disclosed
US-8796269-B2 Crystalline 2-(3,5-Bis(trifluoromethyl)phenyl)-N-(4-(4-fluoro-2-methylphenyl)-6-((7S,9aS)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl)pyridin-3-yl)-N,2-dimethyl-propanamide of the formula (I), their use in therapy, and process for the preparation of the same NERRE THERAPEUTICS LIMITED (GB) 2014-08-05 — — US disclosed
US-8796269-B2 Crystalline 2-(3,5-Bis(trifluoromethyl)phenyl)-N-(4-(4-fluoro-2-methylphenyl)-6-((7S,9aS)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl)pyridin-3-yl)-N,2-dimethyl-propanamide of the formula (I), their use in therapy, and process for the preparation of the same NERRE THERAPEUTICS LIMITED (GB) 2014-08-05 — — US disclosed
US-8710054-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2014-04-29 — — US disclosed
EP-2470545-B1 ANHYDRATE FORMS OF A PYRIDINE DERIVATIVE NERRE THERAPEUTICS LTD (GB) 2013-10-09 — — EP disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 — — WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 — — US disclosed
CN-101305011-A Pyridine derivatives and their use in the treatment of psychotic disorders SMITHKLINE BEECHAM CORP (US) 2008-11-12 — — CN disclosed
US-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders KaNDy Therapeutics Limited (GB) 2008-10-30 — — US disclosed
US-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders KaNDy Therapeutics Limited (GB) 2008-10-30 — — US disclosed
US-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders KaNDy Therapeutics Limited (GB) 2008-10-30 — — US disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 — — US disclosed
EP-1928886-A1 PYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS SmithKline Beecham Corporation (US) 2008-06-11 — — EP disclosed
WO-2007028654-A1 PYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 — — WO disclosed
WO-2007028654-A1 PYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 — — 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 P2RX7 913/4885AGTR2 721/4885EHMT2 1650/4885
US-20140323476-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, HAMP P2RX7 3732/4885AGTR2 3531/4885EHMT2 2673/4885
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A P2RX7 363/4885AGTR2 641/4885EHMT2 3630/4885
US-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders SLC6A3, NDUFS5, NDUFB6 P2RX7 89/4885AGTR2 2237/4885EHMT2 3255/4885

“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.