SCHEMBL1090915

SCHEMBL1090915

CC(C)(C)C1(C(N)=O)CCC1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
PKM P14618 1/20 0.32
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 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
SCHEMBL13223471 0.95 GAA (0.33) GAAPKMKDM4EKMT2A
SCHEMBL1464652 0.92 ALDH1A1 (0.35) GAAPKMKDM4EKMT2A
SCHEMBL1091554 0.89 KDM4E (0.38) GAAPKMKDM4EKMT2A
SCHEMBL14136865 0.85 PKM (0.30) PKM
SCHEMBL14136780 0.80 ALDH1A1 (0.31) PKM
SCHEMBL15925110 0.79
SCHEMBL1091337 0.79 FFAR3 (0.38)
SCHEMBL14136846 0.78 ALDH1A1 (0.33)
SCHEMBL11376972 0.78 ALDH1A1 (0.33)
SCHEMBL9396139 0.78 GAA (0.30) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170101397-A1 PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES Grünenthal GmbH (DE) 2017-04-13 US disclosed
US-20170101397-A1 PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES Grünenthal GmbH (DE) 2017-04-13 US disclosed
US-20170101398-A1 PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES Grünenthal GmbH (DE) 2017-04-13 US disclosed
US-20170101398-A1 PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES Grünenthal GmbH (DE) 2017-04-13 US disclosed
US-8933116-B2 Gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-01-13 US disclosed
US-20140018342-A1 GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2014-01-16 US disclosed
US-8153626-B2 Substituted diazepine sulfonamides as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-04-10 US disclosed
US-8153626-B2 Substituted diazepine sulfonamides as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-04-10 US disclosed
US-20100317645-A1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-1 MODULATORS MERCK SHARP & DOHME LLC 2010-12-16 US disclosed
US-20100317645-A1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-1 MODULATORS MERCK SHARP & DOHME LLC 2010-12-16 US disclosed
US-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES PFIZER INC 2010-08-12 US 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-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES DGAT1, DGAT2, MOGAT2 GAA 227/4885PKM 2068/4885KDM4E 1362/4885
US-20170101398-A1 PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES TRPV1, CACNA1G, CACNA1B GAA 3344/4885PKM 1166/4885KDM4E 3772/4885
US-20170101397-A1 PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES TRPV1, CACNA1G, CACNA1B GAA 3344/4885PKM 1166/4885KDM4E 3772/4885
US-20140018342-A1 GAMMA SECRETASE INHIBITORS BACE1, BACE2, PSEN1 GAA 10/4885PKM 3489/4885KDM4E 2644/4885
US-20100317645-A1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-1 MODULATORS BRS3, BRSK1, BRSK2 GAA 4307/4885PKM 4754/4885KDM4E 4014/4885

“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.