SCHEMBL4479936

SCHEMBL4479936

CCOC(=O)C1(Cc2ccccc2)CN(C(=O)OC(C)(C)C)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
P2RX3 P56373 1/20 0.40
ALDH1A1 P00352 1/20 0.39
STS P08842 1/20 0.39
ACHE P22303 1/20 0.39
GAA P10253 1/20 0.39
USP30 Q70CQ3 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5230371 0.91 GPR119 (0.38) JAK2JAK1GPR119P2RX3ALDH1A1
SCHEMBL5246757 0.90 CNR1 (0.39) MEN1KMT2ANPC1GAA
SCHEMBL5246764 0.90 CNR1 (0.39) MEN1KMT2ANPC1GAA
SCHEMBL5246761 0.90 CNR1 (0.39) MEN1KMT2ANPC1GAA
SCHEMBL5229997 0.89 STS (0.43) KDM4EJAK2JAK1GPR119P2RX3
SCHEMBL5230017 0.89 STS (0.43) KDM4EJAK2JAK1GPR119P2RX3
SCHEMBL5230008 0.89 STS (0.43) KDM4EJAK2JAK1GPR119P2RX3
SCHEMBL16490799 0.88 MEN1 (0.47) LMNAMEN1KMT2AGPR119ALDH1A1
SCHEMBL6414267 0.86 CYP11B2 (0.36) LMNAKMT2ARAB9AGPR119P2RX3
SCHEMBL5230373 0.86 GPR119 (0.41) KMT2AJAK2JAK1GPR119P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170197961-A1 SERINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS RAQUALIA PHARMA INC. (JP) 2017-07-13 US disclosed
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20060167052-A1 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-27 US disclosed
EP-1000085-B1 TREATMENT OF INSULIN RESISTANCE WITH GROWTH HORMONE SECRETAGOGUES PFIZER PROD INC (US) 2005-09-28 EP disclosed
EP-1553084-A1 PIPERIDINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP disclosed
US-6867202-B1 Increasing level of endogenous growth hormone using growth hormone secretagogue such as 2-amino-N-(2-(3a-benzyl-2-methy-3-oxo-2,3,3a,4,6,7-hexahydro-pyrazolo-(4,3 -c)pyridin-5-yl)-1-benzyloxymethyl-2-oxo-ethyl)-isobutyramide tartarate salt PFIZER INC. (US) 2005-03-15 US disclosed
US-6630487-B2 Treatment of insulin resistance with growth hormone secretagogues PFIZER INC. 2003-10-07 US disclosed
US-20030100561-A1 Administering 2-amino-N-(1-(3a-benzyl-2-methyl-3-oxo-2,3,3a, 4,6,7-hexahydro-pyrazolo(4,3-c)pyridine-5-carbonyl)-4-phenyl-butyl) -isobutyramide for treating congestive heart failure, obesity CARPINO PHILIP ALBERT (US) 2003-05-29 US disclosed
US-6448263-B1 SYNTHESIS ROUTES FOR SUCH AS 2-AMINO-N-(2-(3A-(R)-BENZYL-2-METHYL-3-OXO-2,3,3A,4,6,7-HEXAHYDRO-PYRAZOLO -(4,3-C) PYRIDIN-5-YL)-1-(R)-BENZYLOXYMETHYL-2-OXO-ETHYL)-ISOBUTYRAMIDE L-TARTARIC ACID SALT PFIZER INC. 2002-09-10 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 (3 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-20060167052-A1 Piperidine derivative, process for producing the same, and use OPRL1, OXTR, OPRM1 LMNA 2745/4885MEN1 3581/4885KMT2A 642/4885
US-20030100561-A1 Administering 2-amino-N-(1-(3a-benzyl-2-methyl-3-oxo-2,3,3a, 4,6,7-hexahydro-pyrazolo(4,3-c)pyridine-5-carbonyl)-4-phenyl-butyl) -isobutyramide for treating congestive heart failure, obesity GIPR, GHSR, GPR119 LMNA 2213/4885MEN1 1989/4885KMT2A 2757/4885
US-20170197961-A1 SERINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS GHSR, GHRHR, GIPR LMNA 3989/4885MEN1 1509/4885KMT2A 3556/4885

“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.