SCHEMBL2677786

SCHEMBL2677786

CC(C)(C)OC(=O)[C@H]1NCCC1O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC1A2 P43004 1/20 0.34
SPHK1 Q9NYA1 4/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MAPK1 P28482 1/20 0.33
AGL P35573 1/20 0.31
RECQL P46063 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
SCHEMBL6861278 1.00 CHRM2 (0.35) CHRM2CHRM1CHRM3SLC1A2SPHK1
SCHEMBL4429527 1.00 CHRM2 (0.35) CHRM2CHRM1CHRM3SLC1A2SPHK1
SCHEMBL24039255 0.83 MAPK1 (0.37) CHRM2CHRM1CHRM3SLC1A2HRH3
SCHEMBL5728913 0.82 MAPK1 (0.37) CHRM2CHRM1CHRM3SLC1A2HRH3
SCHEMBL6861146 0.79 CHRM2 (0.33) CHRM2CHRM1CHRM3SLC1A2HRH3
SCHEMBL18421811 0.79 SLC1A2 (0.32) CHRM2CHRM1CHRM3SLC1A2HRH3
SCHEMBL15955579 0.79 SLC1A2 (0.32) SLC1A2
SCHEMBL201157 0.79 SPHK1 (0.38) CHRM2CHRM3SLC1A2SPHK1AGL
SCHEMBL201158 0.79 SPHK1 (0.38) CHRM2CHRM3SLC1A2SPHK1AGL
SCHEMBL178593 0.79 SPHK1 (0.38) CHRM2CHRM3SLC1A2SPHK1AGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014127052-A1 PERFLUORO-TERT-BUTYL HYDROXYPROLINE ZONDLO NEAL (US) 2014-08-21 WO disclosed
US-8173840-B2 Compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-08 US disclosed
US-20060241017-A1 Novel compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC 2006-10-26 US disclosed
US-6797820-B2 HYDROXAMATE DERIVATIVES THAT INHIBIT PEPTIDYL DEFORMYLASE (PDF), ANTIMICROBIALS AND ANTIBIOTICS VICURON PHARMACEUTICALS INC. 2004-09-28 US disclosed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP disclosed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US disclosed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 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 (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-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation PDF, MMP2, SDHA CHRM2 4834/4885CHRM1 4815/4885CHRM3 4843/4885
US-20060241017-A1 Novel compounds with high therapeutic index IL4I1, SLC7A1, GOT1 CHRM2 3782/4885CHRM1 4177/4885CHRM3 3706/4885

“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.