SCHEMBL269711

SCHEMBL269711

CC(C)CN(C=O)CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL3827248 0.94 CA12 (0.32) CA12CA1CA2CA9ADH1B
SCHEMBL270365 0.86
SCHEMBL3771352 0.85 PIK3CD (0.31)
SCHEMBL1750328 0.84
SCHEMBL9349275 0.84 ALDH1A1 (0.33) CA12CA1CA2CA9ADH1B
SCHEMBL270446 0.82 ADH1A (0.33) ADH1CADH1A
SCHEMBL11378707 0.80
SCHEMBL23502501 0.78 CA12 (0.35) CA12CA1CA2CA9TSHR
SCHEMBL270910 0.78 ADH1C (0.33) CA12CA1CA9ADH1BADH1C
SCHEMBL13806341 0.78 ALDH1A1 (0.37) CA12CA1CA2CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836148-A Method for co-production of organic bromide and hydrogen through photocatalysis 中国科学院大连化学物理研究所 2023-10-03 CN claimed
CN-111518051-A Aliphatic group substituted thiazolinone compound, preparation method, medicinal composition and application thereof 中国科学技术大学 2020-08-11 CN claimed
CN-101896487-A N-demethylation of N-methyl morphinans MALLINCKRODT INC 2010-11-24 CN claimed
EP-2222677-A1 N-DEMETHYLATION OF N-METHYL MORPHINANS Mallinckrodt Inc. (US) 2010-09-01 EP claimed
US-7671204-B2 N-demethylation of N-methyl morphinans MALLINCKRODT INC. (US) 2010-03-02 US claimed
WO-2009078990-A1 N-DEMETHYLATION OF N-METHYL MORPHINANS MALLINCKRODT INC. (US) 2009-06-25 WO claimed
US-20090156815-A1 N-demethylation of N-methyl morphinans SpecGx LLC 2009-06-18 US claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
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 claimed
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US claimed
US-5110808-A Aldose reductase inhibitors; peripheral effects of diabetes and galactosemia IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1992-05-05 US claimed
EP-0469889-A1 (p-Carbonylaminophenyl)-sulphonyl-nitromethane derivatives ZENECA LIMITED (GB) 1992-02-05 EP claimed
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 claimed
EP-0230224-B1 PROCESS FOR THE PREPARATION OF ALCOXYCARBONYL ISOCYANATES BAYER AG (DE) 1991-07-17 EP claimed
EP-0334014-A2 Substitued imidazolinones and imidazolethiones BAYER AG (DE) 1989-09-27 EP claimed
EP-0287890-A1 Substituted pyrroles BAYER AG (DE) 1988-10-26 EP claimed
US-4777283-A Process for the preparation of alkoxycarbonyl isocyanates BAYER AKTIENGESELLSCHAFT (DE) 1988-10-11 US claimed
US-4695412-A Preparation of acyloxybenzenesulfonic acids and their alkali metal and alkaline earth metal salts BASF AKTIENGESELLSCHAFT (DE) 1987-09-22 US claimed
EP-0031504-B1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID CHLORIDES BASF Aktiengesellschaft (DE) 1982-12-15 EP claimed
EP-0031504-A1 Process for the preparation of carboxylic acid chlorides BASF Aktiengesellschaft (DE) 1981-07-08 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 (1 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-20090156815-A1 N-demethylation of N-methyl morphinans OPRM1, PNMT, OPRD1 CA12 4213/4885CA1 3495/4885CA2 4054/4885

“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.