SCHEMBL404197

SCHEMBL404197

O=CNC1CCC(O)CC1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.74
ADH1A P07327 4/20 0.74
ADH1C P00326 3/20 0.59
ADH7 P40394 2/20 0.59
ADH4 P08319 1/20 0.56
EPHX2 P34913 2/20 0.48
TSHR P16473 1/20 0.32

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
SCHEMBL17690614 1.00 ADH1B (0.74) ADH1BADH1AADH1CADH7ADH4
SCHEMBL17690667 1.00 ADH1B (0.74) ADH1BADH1AADH1CADH7ADH4
SCHEMBL19658308 0.86 ADH1B (1.00) ADH1BADH1AADH1CADH7ADH4
SCHEMBL115609 0.86
SCHEMBL21997344 0.86 ADH1B (1.00) ADH1BADH1AADH1CADH7ADH4
SCHEMBL20678957 0.85
SCHEMBL18924689 0.85
Hydrochloric Acid SCHEMBL4095046 0.83
Hydrochloric Acid SCHEMBL9205102 0.83
Bicarbonate SCHEMBL11031476 0.81 ADH1B (0.78) ADH1BADH1AADH1CADH7ADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977102-A INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES OR EPIDERMAL GROWTH FACTOR; ANTITUMOR,-CARCINOGENIC, -METASTASIS,-PROLIFERATION AGENTS AND -INFLAMMATORY AGENTS; PSORIASIS; ANGIOGENESIS INHIBITORS; IMMUNOLOGY; DR. KARL THOMAE GMBH (DE) 1999-11-02 US claimed
US-20190134052-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR NOVARTIS AG (CH) 2019-05-09 US disclosed
EP-2707372-B1 SPIRO-OXINDOLE MDM2 ANTAGONISTS UNIV MICHIGAN REGENTS (US) 2016-12-21 EP disclosed
US-9452994-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2016-09-27 US disclosed
US-20160251334-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES FLUBACHER DIETMAR (DE) 2016-09-01 US disclosed
EP-3040333-A1 CRYSTALLINE FORMS OF 5-(2,6-DI-4-MORPHOLINYL-4-PYRIDMIDINYL)-4-TRIFLUOROMETHYLPYRIDIN-2-AMINE, A PIK3 INHIBITOR Novartis AG (CH) 2016-07-06 EP disclosed
US-9359326-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2016-06-07 US disclosed
WO-2016032882-A1 INHIBITION OF MK2 IN THE TREATMENT OF CANCER STC.UNM (US) 2016-03-03 WO disclosed
US-9181215-B2 Manufacturing process for pyrimidine derivatives NOVARTIS AG (CH) 2015-11-10 US disclosed
CN-104987321-A MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES NOVARTIS AG 2015-10-21 CN disclosed
EP-0706532-B1 Peptides having endothelin antagonictic activity,their preparation and pharmaceutical compositions FUJISAWA PHARMACEUTICAL CO (JP) 2000-02-02 EP disclosed
US-5977102-A INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES OR EPIDERMAL GROWTH FACTOR; ANTITUMOR,-CARCINOGENIC, -METASTASIS,-PROLIFERATION AGENTS AND -INFLAMMATORY AGENTS; PSORIASIS; ANGIOGENESIS INHIBITORS; IMMUNOLOGY; DR. KARL THOMAE GMBH (DE) 1999-11-02 US disclosed
US-5888972-A ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-03-30 US disclosed
EP-0457195-B1 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1998-04-15 EP disclosed
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
EP-0706532-A1 NEW COMPOUND AND ITS PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-17 EP disclosed
US-5430022-A Endothelin antagonists; hypotensive agents; treatment for angina pectoris, brain disorders, asthma, renal failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US disclosed
WO-1995000537-A1 NEW COMPOUND AND ITS PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-01-05 WO disclosed
US-5284828-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1994-02-08 US disclosed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 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-20190134052-A1 DOSAGE REGIMEN FOR A PI-3 KINASE INHIBITOR PIK3CA, PIK3CD, PIK3R5 ADH1B 2314/4885ADH1A 2829/4885ADH1C 1959/4885
US-20160251334-A1 MANUFACTURING PROCESS FOR PYRIMIDINE DERIVATIVES UMPS, HPRT1, NUDT1 ADH1B 510/4885ADH1A 1366/4885ADH1C 2110/4885

“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.