SCHEMBL127699

SCHEMBL127699

CCOC(=O)c1cc(C)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
GABRA1 P14867 7/20 0.49
GABRG2 P18507 7/20 0.49
GABRB3 P28472 7/20 0.49
GABRA5 P31644 7/20 0.49
GABRA3 P34903 7/20 0.49
GABRA2 P47869 7/20 0.49
GABRA4 P48169 7/20 0.49
GABRA6 Q16445 7/20 0.49
GABRP O00591 6/20 0.49
GABRD O14764 6/20 0.49
GABRB1 P18505 6/20 0.49
GABRB2 P47870 6/20 0.49
GABRE P78334 6/20 0.49
GABRG1 Q8N1C3 6/20 0.49
GABRG3 Q99928 6/20 0.49
GABRQ Q9UN88 6/20 0.49
NUDT1 P36639 1/20 0.48

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
SCHEMBL30440953 0.98 CYP1A2 (0.51) CYP1A2KDM4EPOLBGABRA1GABRG2
SCHEMBL20267579 0.88 ALDH1A1 (0.48) CYP1A2KDM4EPOLBGABRA1GABRG2
SCHEMBL24573012 0.88 JMJD6 (0.48) CYP1A2KDM4EPOLBGABRA1GABRG2
SCHEMBL13545919 0.86 POLB (0.40) CYP1A2KDM4EPOLBGABRA1GABRG2
SCHEMBL23189019 0.85 TSHR (0.50) CYP1A2KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL30234144 0.84 CA12 (0.51) CYP1A2KDM4EGABRA1GABRG2GABRB3
SCHEMBL29466587 0.84 JMJD6 (0.57) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL5778009 0.84 CA12 (0.51) CYP1A2KDM4EGABRA1GABRG2GABRB3
SCHEMBL159881 0.84 CYP1A2 (0.51) CYP1A2KDM4EPOLBGABRA1GABRG2
SCHEMBL930636 0.84 JMJD6 (0.57) CYP1A2GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118684618-A Argatroban middle Process for the preparation of intermediates 山东新时代药业有限公司 2024-09-24 CN disclosed
US-20240228464-A9 TETRAZOLE CONTAINING APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2024-07-11 US disclosed
US-11834436-B2 Tetrazole containing apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2023-12-05 US disclosed
CN-116217466-A Preparation method of argatroban intermediate 4-methyl-2-ethyl piperidine formate 山东新时代药业有限公司 2023-06-06 CN disclosed
US-20190248752-A1 HETEROCYCLIC FXR MODULATORS Hepagene Therapeutics (HK) Limited (HK) 2019-08-15 US disclosed
US-20180072672-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-15 US disclosed
US-9908852-B2 Bipyridyl compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-06 US disclosed
EP-2903078-B1 METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, DYE SOLUTION, AND DYE-ADSORBED ELECTRODE FUJIFILM CORP (JP) 2017-10-25 EP disclosed
US-20170001960-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-01-05 US disclosed
EP-2903078-A1 METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, DYE SOLUTION, AND DYE-ADSORBED ELECTRODE FUJIFILM Corporation (JP) 2015-08-05 EP disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
US-5849693-A Cyclic compounds linked by a heterocyclic ring useful as inhibitors of platelet glycoprotein IIb/IIIa THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed
US-5773411-A CARDIOVASCULAR DISORDERS AND BRAIN DISORDERS AND COAGULANTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-30 US disclosed
US-5691329-A Compounds containing basic and acidic termini useful as fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-25 US disclosed
US-5563158-A CARDIOVASCULAR DISORDERS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-08 US disclosed
EP-0672059-A1 CYCLIC COMPOUNDS LINKED BY A HETEROCYCLIC RING USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-09-20 EP disclosed
WO-1995018111-A1 COMPOUNDS CONTAINING BASIC AND ACIDIC TERMINI USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-06 WO disclosed
WO-1994011398-A1 CYCLIC COMPOUNDS LINKED BY A HETEROCYCLIC RING USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-05-26 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-20190248752-A1 HETEROCYCLIC FXR MODULATORS NR1H4, FXR1, NR1H2 CYP1A2 409/4885KDM4E 4596/4885POLB 4026/4885
US-20170001960-A1 BIPYRIDYL COMPOUND CBR1, NR0B2, ERBB2 CYP1A2 133/4885KDM4E 3386/4885POLB 1822/4885
US-20180072672-A1 BIPYRIDYL COMPOUND CBR1, NR0B2, ERBB2 CYP1A2 133/4885KDM4E 3386/4885POLB 1822/4885
US-11834436-B2 Tetrazole containing apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof AIFM1, BAD, IRAK1 CYP1A2 2564/4885KDM4E 1664/4885POLB 4815/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 CYP1A2 84/4885KDM4E 1902/4885POLB 3501/4885
US-20240228464-A9 TETRAZOLE CONTAINING APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF AIFM1, BAD, IRAK1 CYP1A2 2564/4885KDM4E 1664/4885POLB 4815/4885

“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.