SCHEMBL1190522

SCHEMBL1190522

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
SCHEMBL1005866 1.00 P2RX7 (0.58) P2RX7AGTR2EHMT2GRM6HCRTR1
SCHEMBL311394 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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102884059-B N-acyl cyclic amine derivatives or pharmaceutically acceptable salts thereof DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2015-08-26 CN disclosed
EP-2217226-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2015-07-22 EP 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-8541585-B2 N-acyl cyclic amine derivative or pharmaceutically acceptable salt thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-09-24 US disclosed
US-8541585-B2 N-acyl cyclic amine derivative or pharmaceutically acceptable salt thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-09-24 US disclosed
US-8541585-B2 N-acyl cyclic amine derivative or pharmaceutically acceptable salt thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-09-24 US disclosed
WO-2013082388-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2013-06-06 WO disclosed
US-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2013-02-21 US disclosed
US-20040142931-A1 C-6 modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY 2004-07-22 US disclosed
WO-2004054514-A2 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-01 WO disclosed
US-20040058921-A1 Morpholine derivatives as antagonists of orexin receptors SMITHKLINE BEECHAM PLC (GB) 2004-03-25 US disclosed
EP-1353918-A1 MORPHOLINE DERIVATIVES AS ANTAGONISTS OF OREXIN RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-10-22 EP disclosed
US-6624164-B2 Solvates and/or hydrates exhibiting affinity for the arginine-vasopressin V1b receptors or for both V1b and V1a 1a receptors. SANOFI-SYNTHELABO (FR) 2003-09-23 US disclosed
US-20030176430-A1 Benzhydryl derivatives ASTELLAS PHARMA INC. (JP) 2003-09-18 US disclosed
US-20030139413-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SANOFI-AVENTIS (FR) 2003-07-24 US disclosed
EP-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP disclosed
WO-2002044172-A1 MORPHOLINE DERIVATIVES AS ANTAGONISTS OF OREXIN RECEPTORS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-06 WO disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 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 (6 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-20030139413-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION CONTAINING THEM AVPR2, AVPR1B, AVPR1A P2RX7 878/4885AGTR2 36/4885EHMT2 4798/4885
US-20140323476-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, HAMP P2RX7 3732/4885AGTR2 3531/4885EHMT2 2673/4885
US-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DPEP1, DHPS P2RX7 3920/4885AGTR2 1604/4885EHMT2 1797/4885
US-20030176430-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 P2RX7 1641/4885AGTR2 69/4885EHMT2 2190/4885
US-20040142931-A1 C-6 modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR P2RX7 2991/4885AGTR2 636/4885EHMT2 3681/4885
US-20040058921-A1 Morpholine derivatives as antagonists of orexin receptors HCRTR2, HCRTR1, OXTR P2RX7 317/4885AGTR2 227/4885EHMT2 1945/4885

“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.