SCHEMBL6164797

SCHEMBL6164797

C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
USP2 O75604 1/20 0.54
CTSK P43235 4/20 0.54
CTSL P07711 3/20 0.48
CTSB P07858 3/20 0.48
CTSD P07339 1/20 0.47
CTSS P25774 1/20 0.47
PKM P14618 1/20 0.46
RECQL P46063 1/20 0.44
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
PREP P48147 1/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL5451145 1.00 SMN1; SMN2 (0.54) SMN1; SMN2USP2CTSKCTSLCTSB
SCHEMBL5441244 1.00 SMN1; SMN2 (0.54) SMN1; SMN2USP2CTSKCTSLCTSB
SCHEMBL23050302 0.87 CTSK (0.53) SMN1; SMN2USP2CTSKCTSLCTSB
SCHEMBL23590380 0.87 CTSK (0.51) SMN1; SMN2USP2CTSKCTSLCTSB
SCHEMBL15947741 0.85 CTSK (0.50) SMN1; SMN2USP2CTSKCTSLCTSB
SCHEMBL13287349 0.85 CTSK (0.50) CTSKCTSLCTSBHRH2HRH1
SCHEMBL23845173 0.85 CTSK (0.50) CTSKCTSLCTSBHRH2HRH1
SCHEMBL5416784 0.85 CTSK (0.50) CTSKCTSLCTSBHRH2HRH1
SCHEMBL5435526 0.84 CTSK (0.49) CTSKCTSLCTSBHRH2HRH1
SCHEMBL5451133 0.84 CTSK (0.49) CTSKCTSLCTSBHRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567338-A Novel heteroaryl triazole compounds as pesticides 拜耳公司 2024-02-20 CN disclosed
US-20190231787-A1 METHODS AND COMPOUNDS FOR TREATING ALCOHOL USE DISORDERS AND ASSOCIATED DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-01 US disclosed
US-9464066-B2 Deuterated compounds useful for treating neurodegenerative diseases PHARMATROPHIX, INC. (US) 2016-10-11 US disclosed
US-9464066-B2 Deuterated compounds useful for treating neurodegenerative diseases PHARMATROPHIX, INC. (US) 2016-10-11 US disclosed
US-20160229823-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES Ricerca Biosciences, LLC 2016-08-11 US disclosed
US-20160229823-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES Ricerca Biosciences, LLC 2016-08-11 US disclosed
US-20120322799-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES PHARMATROPHIX, INC. (US) 2012-12-20 US disclosed
US-20110230479-A1 NEUROTROPHIN MIMETICS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-22 US disclosed
WO-2010102212-A2 NEUROTROPHIN MIMETICS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-09-10 WO disclosed
EP-1134213-B1 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER (US) 2005-11-02 EP disclosed
EP-0832065-B1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER (US) 2001-10-10 EP disclosed
EP-1134213-A2 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER INC. (US) 2001-09-19 EP disclosed
US-6277877-B1 GLYCOGEN PHOSPHORYLASE INHIBITOR; ANTIDIABETIC AGENTS PFIZER, INC. 2001-08-21 US disclosed
US-6107329-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS PFIZER, INC. (US) 2000-08-22 US disclosed
EP-0832065-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 WO 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 (4 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-20160229823-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES NLN, NGF, BDNF SMN1; SMN2 10/4885USP2 2291/4885CTSK 1045/4885
US-20120322799-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES NLN, NGF, BDNF SMN1; SMN2 10/4885USP2 2291/4885CTSK 1045/4885
US-20190231787-A1 METHODS AND COMPOUNDS FOR TREATING ALCOHOL USE DISORDERS AND ASSOCIATED DISEASES ADH1A, NTRK2, ADH1C SMN1; SMN2 1441/4885USP2 2823/4885CTSK 3353/4885
US-20110230479-A1 NEUROTROPHIN MIMETICS AND USES THEREOF BDNF, NTRK2, NGF SMN1; SMN2 24/4885USP2 2065/4885CTSK 1101/4885

“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.