SCHEMBL8224318

SCHEMBL8224318

CC(C)(C)OC(=O)N1CCc2cc(Cl)ccc2C1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 16/20 0.54
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
ALDH1A1 P00352 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL15605812 0.91 GHSR (0.47) GHSRALDH1A1ESR2
SCHEMBL3069653 0.89 ESR2 (0.54) GHSRESR2
Ethane SCHEMBL29233312 0.89 ESR2 (0.54) GHSRESR2
SCHEMBL8417698 0.88 GHSR (0.52) GHSRFNTAFNTBALDH1A1
SCHEMBL25895785 0.87 GHSR (0.48) GHSR
SCHEMBL15568922 0.86 GHSR (0.52) GHSR
SCHEMBL1519350 0.85 GHSR (0.59) GHSR
SCHEMBL8276148 0.85 GHSR (0.51) GHSRFNTAFNTB
SCHEMBL8417697 0.85 GHSR (0.51) GHSRFNTAFNTB
SCHEMBL8225732 0.84 SLC6A15 (0.45) GHSRFNTAFNTBESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422332-B2 Azaheterocycles as BIR2 and/or BIR3 inhibitors HOFFMANN-LA ROCHE INC. (US) 2016-08-23 US disclosed
US-9422332-B2 Azaheterocycles as BIR2 and/or BIR3 inhibitors HOFFMANN-LA ROCHE INC. (US) 2016-08-23 US disclosed
US-20150210739-A1 AZAHETEROCYCLES AS BIR2 AND/OR BIR3 INHIBITORS HOFFMANN-LA ROCHE INC. 2015-07-30 US disclosed
US-20150210739-A1 AZAHETEROCYCLES AS BIR2 AND/OR BIR3 INHIBITORS HOFFMANN-LA ROCHE INC. 2015-07-30 US disclosed
EP-2885275-A1 AZAHETEROCYCLES AS BIR2 AND/OR BIR3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-06-24 EP disclosed
US-9062071-B2 Substituted piperidines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
US-9062071-B2 Substituted piperidines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
CN-104540806-A Azaheterocycles as BIR2 and/or BIR3 inhibitors HOFFMANN LA ROCHE 2015-04-22 CN disclosed
US-20140323482-A1 SUBSTITUTED PIPERIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME LLC 2014-10-30 US disclosed
US-20140323482-A1 SUBSTITUTED PIPERIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME LLC 2014-10-30 US disclosed
WO-2013096150-A1 SUBSTITUTED PIPERIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-27 WO disclosed
US-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 US disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 US disclosed
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 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 (5 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-20140323482-A1 SUBSTITUTED PIPERIDINES AS HDM2 INHIBITORS DDX21, NUTF2, PHF20 GHSR 4512/4885FNTA 2726/4885FNTB 2687/4885
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 GHSR 1100/4885FNTA 1190/4885FNTB 840/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF GHSR 1176/4885FNTA 1593/4885FNTB 1305/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 GHSR 1181/4885FNTA 895/4885FNTB 946/4885
US-20150210739-A1 AZAHETEROCYCLES AS BIR2 AND/OR BIR3 INHIBITORS BIRC3, BIRC5, BIRC2 GHSR 4702/4885FNTA 1803/4885FNTB 860/4885

“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.