SCHEMBL2297259

SCHEMBL2297259

CC(C)(C)OC(=O)c1cc2[nH]ccc2cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 13/20 0.52
GABRB3 P28472 13/20 0.52
GABRA1 P14867 12/20 0.52
GABRA2 P47869 12/20 0.52
GABRA5 P31644 12/20 0.52
GABRA3 P34903 11/20 0.52
GABRA6 Q16445 10/20 0.52
GABRA4 P48169 5/20 0.52
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRB2 P47870 1/20 0.52
GABRE P78334 1/20 0.52
GABRG1 Q8N1C3 1/20 0.52
GABRG3 Q99928 1/20 0.52
GABRQ Q9UN88 1/20 0.52
HPGDS O60760 1/20 0.38
ABL1 P00519 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL27577568 0.84 GABRA1 (0.49) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL29965053 0.84 GABRA1 (0.49) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL14226872 0.79 ENPP2 (0.42) ABL1KDM4EALDH1A1HPGDENPP2
SCHEMBL2231485 0.77 KDM4E (0.51) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL7025748 0.76 GABRG2 (0.57) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL1207829 0.75 LCK (0.44) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL2503456 0.75 KDR (0.43) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL11887259 0.75 ALDH1A1 (0.58) GABRG2GABRB3GABRA1GABRA2GABRA3
SCHEMBL12688295 0.73 KDR (0.44) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL2806960 0.72 GABRG2 (0.50) GABRG2GABRB3GABRA1GABRA2GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104640847-B Novel Renin Inhibitors 上海医药集团股份有限公司 2019-10-15 CN disclosed
US-10155731-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-12-18 US disclosed
EP-2933248-B1 NOVEL RENIN INHIBITOR MITSUBISHI TANABE PHARMA CORP (JP) 2018-01-31 EP disclosed
EP-2687518-B1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2017-11-01 EP disclosed
EP-2687518-B1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2017-11-01 EP disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
US-9403819-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 US disclosed
US-9403819-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 US disclosed
US-9403819-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 US disclosed
WO-2012124775-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 (JP) 2012-09-20 WO disclosed
WO-2011097079-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-11 WO disclosed
WO-2011097079-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-11 WO disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
US-7566784-B2 Bicyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-28 US disclosed
US-7566784-B2 Bicyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-28 US disclosed
US-7566784-B2 Bicyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-28 US disclosed
EP-1742948-A2 BICYCLIC HETEROCYCLES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-17 EP disclosed
WO-2005116028-A2 BICYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-08 WO disclosed
US-20050239820-A1 Bicyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-10-27 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 GABRG2 2764/4885GABRB3 2690/4885GABRA1 3416/4885
US-10155731-B2 Nitrogen-containing saturated heterocyclic compound REN, AGTR1, AGTR2 GABRG2 3063/4885GABRB3 3048/4885GABRA1 2923/4885
US-20050239820-A1 Bicyclic heterocycles as kinase inhibitors CDK2, ABL1, CDKN1A GABRG2 2728/4885GABRB3 2796/4885GABRA1 3246/4885

“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.