SCHEMBL6006488

SCHEMBL6006488

O=CN(C1CCC1)C1CC1

nearest known ligand 0.94

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 12/20 0.94
ADH1C P00326 9/20 0.94
ADH4 P08319 2/20 0.94
ADH1B P00325 2/20 0.41
ADH7 P40394 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
SCHEMBL6005197 0.97 ADH1A (1.00) ADH1AADH1CADH4ADH1BADH7
SCHEMBL4496323 0.97 ADH1A (1.00) ADH1AADH1CADH4ADH1BADH7
SCHEMBL5122418 0.94 ADH1A (1.00) ADH1AADH1CADH4ADH1BADH7
SCHEMBL3160136 0.94 ADH1A (1.00) ADH1AADH1CADH4ADH1BADH7
Cyclobutyl(Cyclopentyl)Formamide SCHEMBL4315833 0.94 ADH1A (1.00) ADH1AADH1CADH4ADH1BADH7
SCHEMBL2874295 0.94
SCHEMBL10012570 0.91 ADH1A (0.94) ADH1AADH1CADH4ADH1BADH7
SCHEMBL10013014 0.91 ADH1A (0.94) ADH1AADH1CADH4ADH1BADH7
SCHEMBL14855293 0.91 ADH1A (0.94) ADH1AADH1CADH4ADH1BADH7
SCHEMBL10913207 0.91 ADH1A (0.94) ADH1AADH1CADH4ADH1BADH7

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2700643-B1 TETRAHYDROTHIAZEPINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-11-23 EP disclosed
US-8927536-B2 Tetrahydrothiazepine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140080808-A1 TETRAHYDROTHIAZEPINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-20 US disclosed
EP-2700643-A1 TETRAHYDROTHIAZEPINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-26 EP disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 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-20140080808-A1 TETRAHYDROTHIAZEPINE DERIVATIVE HSD11B1, HSD11B2, HSD3B1 ADH1A 26/4885ADH1C 30/4885ADH4 77/4885
US-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 ADH1A 98/4885ADH1C 89/4885ADH4 431/4885

“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.