SCHEMBL772457

SCHEMBL772457

CN(C=O)C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 12/20 1.00
ADH1C P00326 9/20 1.00
ADH1B P00325 3/20 0.52
ADH4 P08319 3/20 0.50
FAAH O00519 1/20 0.37
PHGDH O43175 1/20 0.37
MGLL Q99685 1/20 0.37
ADH7 P40394 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL1678872 1.00 ADH1A (1.00) ADH1AADH1CADH1BADH4FAAH
SCHEMBL1679242 1.00 ADH1A (1.00) ADH1AADH1CADH1BADH4FAAH
SCHEMBL772996 0.97
SCHEMBL967159 0.95
SCHEMBL308431 0.86
Ethyne SCHEMBL20506470 0.81
Bicarbonate SCHEMBL10721946 0.77 ADH1A (0.62) ADH1AADH1CADH1BADH4TSHR
SCHEMBL13744423 0.77 ADH1A (0.62) ADH1AADH1CADH1BADH4TSHR
SCHEMBL24230521 0.75 ADH1A (0.60) ADH1AADH1CADH1BADH4TSHR
SCHEMBL1569623 0.75 ADH1A (0.60) ADH1AADH1CADH1BADH4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1906945-B1 HCV INHIBITORS VIROBAY INC (US) 2015-08-05 EP claimed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 US claimed
US-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-04-23 US claimed
US-20080275066-A1 Condensed Thiophene Derivatives and Their Use as Cyclic Glp-1 Agonists NOVO NORDISK A/S (DK) 2008-11-06 US claimed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-12-06 US claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed
EP-1765814-A1 CONDENSED THIOPHENE DERIVATIVES AND THEIR USE AS CYCLIC GLP-1 AGONISTS NOVO NORDISK A/S (DK) 2007-03-28 EP claimed
CN-1918101-A Processes for preparing benzoquinones and hydroquinones GEN ELECTRIC (US) 2007-02-21 CN claimed
EP-1718653-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY Ligand Pharmaceuticals Inc. (US) 2006-11-08 EP claimed
EP-0230224-B1 PROCESS FOR THE PREPARATION OF ALCOXYCARBONYL ISOCYANATES BAYER AG (DE) 1991-07-17 EP claimed
EP-0152759-B1 AMINOISOTHIAZOLE COMPOUNDS BASF Aktiengesellschaft (DE) 1989-08-23 EP claimed
EP-0150034-B1 DERIVATIVES OF 2-AMINOTHIOPHENE BASF Aktiengesellschaft (DE) 1989-08-02 EP claimed
US-4785116-A Aminoisothiazole compounds BASF AKTIENGESELLSCHAFT (DE) 1988-11-15 US claimed
US-4777283-A Process for the preparation of alkoxycarbonyl isocyanates BAYER AKTIENGESELLSCHAFT (DE) 1988-10-11 US claimed
EP-0165422-B1 SUBSTITUTED BIS-(4-AMINOPHENYL)-SULPHONES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1988-03-09 EP claimed
EP-0230224-A2 Process for the preparation of alcoxycarbonyl isocyanates BAYER AG (DE) 1987-07-29 EP claimed
EP-0026000-B1 SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Chemical Industries, Ltd. (JP) 1983-05-11 EP claimed
US-4362740-A ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-12-07 US claimed
EP-0026000-A1 Spiro compounds, process for their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1981-04-01 EP claimed

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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods NR3C1, NR3C2, MC2R ADH1A 661/4885ADH1C 941/4885ADH1B 910/4885
US-20080275066-A1 Condensed Thiophene Derivatives and Their Use as Cyclic Glp-1 Agonists GLP1R, GIPR, GCGR ADH1A 3058/4885ADH1C 2262/4885ADH1B 4575/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R ADH1A 661/4885ADH1C 941/4885ADH1B 910/4885

“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.