SCHEMBL4763188

SCHEMBL4763188

CCOC(=O)C1(Cc2ccccn2)CN(C(=O)OC(C)(C)C)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GRM5 P41594 3/20 0.42
PDE10A Q9Y233 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
USP30 Q70CQ3 1/20 0.40
DTYMK P23919 1/20 0.39
OPRD1 P41143 1/20 0.39
GRM1 Q13255 1/20 0.39
MAPT P10636 1/20 0.38
NOS2 P35228 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37

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
SCHEMBL5226349 0.90 GRM5 (0.43) POLBGRM5PDE10AGPR119USP30
SCHEMBL5226358 0.90 GRM5 (0.43) POLBGRM5PDE10AGPR119USP30
SCHEMBL31163752 0.90 GRM5 (0.43) POLBGRM5PDE10AGPR119USP30
SCHEMBL5226353 0.90 GRM5 (0.43) POLBGRM5PDE10AGPR119USP30
SCHEMBL4479936 0.85 LMNA (0.42) ALDH1A1KDM4EGPR119USP30LMNA
SCHEMBL5245529 0.83 MEN1 (0.39) ALDH1A1KDM4EGRM5GPR119DTYMK
SCHEMBL5245532 0.83 MEN1 (0.39) ALDH1A1KDM4EGRM5GPR119DTYMK
SCHEMBL5245539 0.83 MEN1 (0.39) ALDH1A1KDM4EGRM5GPR119DTYMK
SCHEMBL6414267 0.82 CYP11B2 (0.36) ALDH1A1POLBGPR119USP30LMNA
SCHEMBL2350223 0.80 ADORA1 (0.42) ALDH1A1KDM4EGRM5USP30

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
EP-0989993-B1 TARTRATE SALT OF A SUBSTITUTED DIPEPTIDE AS GROWTH HORMONE SECRETAGOGUE PFIZER PROD INC (US) 2008-03-05 EP disclosed
EP-1000085-B1 TREATMENT OF INSULIN RESISTANCE WITH GROWTH HORMONE SECRETAGOGUES PFIZER PROD INC (US) 2005-09-28 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-6673929-B2 Process for preparing growth hormone secretagogues PFIZER INC. 2004-01-06 US disclosed
US-6630487-B2 Treatment of insulin resistance with growth hormone secretagogues PFIZER INC. 2003-10-07 US disclosed
US-20030158414-A1 Process for preparing growth hormone secretagogues RAQUALIA PHARMA INC. (JP) 2003-08-21 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-6541634-B2 Reacting a pyrazolo(4,3-a)pyridine compound with amine PFIZER INC. 2003-04-01 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
US-20020002283-A1 Process for preparing growth hormone secretagogues RAQUALIA PHARMA INC. (JP) 2002-01-03 US disclosed
US-6248717-B1 TREATMENT OF OSTEOPOROSIS, CARDIOTONIC AGENTS, ANTIAGING AGENTS, WOUND HEALING AGENTS PFIZER INC. 2001-06-19 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-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 ALDH1A1 1938/4885POLB 4104/4885KDM4E 1856/4885
US-20020002283-A1 Process for preparing growth hormone secretagogues GHRHR, GHSR, PRLHR ALDH1A1 3923/4885POLB 3752/4885KDM4E 3310/4885
US-20030158414-A1 Process for preparing growth hormone secretagogues GHRHR, GHSR, PRLHR ALDH1A1 3923/4885POLB 3752/4885KDM4E 3310/4885

“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.