SCHEMBL1724065

SCHEMBL1724065

CC(C)(C)OC(=O)N[C@@H]1CCCc2cc(C=O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TAS1R3 Q7RTX0 5/20 0.41
TAS1R1 Q7RTX1 5/20 0.41
LMNA P02545 2/20 0.41
TAS1R2 Q8TE23 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1724063 1.00 MEN1 (0.41) MEN1KMT2ATAS1R3TAS1R1LMNA
SCHEMBL13936482 1.00 MEN1 (0.41) MEN1KMT2ATAS1R3TAS1R1LMNA
SCHEMBL21178513 0.93 CA12 (0.42) KMT2A
SCHEMBL13936481 0.85 KMT2A (0.39) MEN1KMT2ATAS1R3TAS1R1LMNA
SCHEMBL4532901 0.85 KMT2A (0.39) MEN1KMT2ATAS1R3TAS1R1LMNA
SCHEMBL4132931 0.85 KMT2A (0.39) MEN1KMT2ATAS1R3TAS1R1LMNA
SCHEMBL4132933 0.85 KMT2A (0.39) MEN1KMT2ATAS1R3TAS1R1LMNA
SCHEMBL4532895 0.85 KMT2A (0.39) MEN1KMT2ATAS1R3TAS1R1LMNA
SCHEMBL21183420 0.84 LMNA (0.51) MEN1KMT2ATAS1R3TAS1R1LMNA
SCHEMBL29372292 0.84 TAS1R3 (0.48) MEN1KMT2ATAS1R3TAS1R1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403854-B1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS GRUENENTHAL GMBH (DE) 2013-09-11 EP disclosed
EP-2403854-B1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS GRUENENTHAL GMBH (DE) 2013-09-11 EP disclosed
US-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 US disclosed
US-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 US disclosed
US-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 US disclosed
EP-2403854-A1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS Grünenthal GmbH (DE) 2012-01-11 EP disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 US disclosed
WO-2010099938-A1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS Grünenthal GmbH (DE) 2010-09-10 WO disclosed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US disclosed
EP-1817294-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS Amgen Inc. (US) 2007-08-15 EP disclosed
EP-1799637-A1 SUBSTITUTED SULFONAMIDOPROPIONAMIDES AND METHODS OF USE Amgen, Inc (US) 2007-06-27 EP disclosed
US-7199244-B2 Cyclic amine derivatives and methods of use AMGEN (US) 2007-04-03 US disclosed
US-20060111347-A1 Substituted sulfones and methods of use AMGEN INC. (US) 2006-05-25 US disclosed
WO-2006036664-A1 SUBSTITUTED SULFONAMIDOPROPIONAMIDES AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed
WO-2006019975-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS AMGEN INC. (US) 2006-02-23 WO disclosed
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AMGEN INC. 2006-02-02 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 (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-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 MEN1 3392/4885KMT2A 4129/4885TAS1R3 4435/4885
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals BDKRB1, BDKRB2, KCNB1 MEN1 1549/4885KMT2A 2855/4885TAS1R3 105/4885
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AADAC, PTGES2, LTC4S MEN1 4335/4885KMT2A 1654/4885TAS1R3 3448/4885
US-20060111347-A1 Substituted sulfones and methods of use SULT2A1, STS, SULT1A1 MEN1 4460/4885KMT2A 3354/4885TAS1R3 2405/4885

“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.