SCHEMBL5299121

SCHEMBL5299121

CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C[C@]2(C)C1=O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.63
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.41
CTSS P25774 1/20 0.40
UGCG Q16739 7/20 0.37
KLK7 P49862 2/20 0.37
KLK5 Q9Y337 2/20 0.37
CYP3A4 P08684 2/20 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
SCHEMBL5299114 1.00 GHSR (0.63) GHSRPPARAPPARGCTSSUGCG
SCHEMBL5248481 0.90 GHSR (0.79) GHSRPPARAPPARGCTSSUGCG
SCHEMBL5253549 0.90 GHSR (0.79) GHSRPPARAPPARGCTSSUGCG
SCHEMBL5248471 0.90 GHSR (0.79) GHSRPPARAPPARGCTSSUGCG
Hydrochloric Acid SCHEMBL6212805 0.87 GHSR (0.79) GHSRUGCG
Hydrochloric Acid SCHEMBL7960403 0.87 GHSR (0.79) GHSRUGCG
Hydrochloric Acid SCHEMBL5250095 0.87 GHSR (0.79) GHSRUGCG
Hydrochloric Acid SCHEMBL6369979 0.87 GHSR (0.79) GHSRUGCG
Hydrochloric Acid SCHEMBL7960400 0.87 GHSR (0.79) GHSRUGCG
SCHEMBL5254132 0.86 GHSR (0.73) GHSRPPARAPPARGCTSSUGCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869968-B1 GROWTH-HORMONE SECRETAGOGUES PFIZER (US) 2007-05-02 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-6482825-B2 HEXAHYDRO-PYRAZOLO-(4,3-C)PYRIDINE DERIVATIVES USEFUL FOR INCREASING THE ENDOGENOUS PRODUCTION OR RELEASE OF GROWTH HORMONE IN A HUMAN OR OTHER ANIMAL, THUS TREAT OR PREVENT OSTEOPOROSIS PFIZER INC. 2002-11-19 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-20020049196-A1 Growth-hormone secretagogues RAQUALIA PHARMA INC. (JP) 2002-04-25 US disclosed
US-6313140-B1 ADMINISTERING TO A HUMAN OR OTHER ANIMAL PYRAZOLOPYRIMIDINE DERIVATIVE FOR PROPHYLAXIS OR THERAPY OF DISEASE OR CONDITION WHICH MAY BE TREATED OR PREVENTED BY GROWTH HORMONE PFIZER INC. 2001-11-06 US disclosed
US-6306875-B1 ADMINISTERING GROWTH HORMONES DIPEPTIDE COMPOUNDS WHICH ARE GROWTH HORMONE SECRETAGOGUES AND ARE USEFUL FOR THE TREATMENT AND PREVENTION OF OSTEOPOROSIS. PFIZER INC. 2001-10-23 US disclosed
US-6278000-B1 INCREASE LEVEL OF ENDOGENOUS GROWTH HORMONE; USEFUL IN THERAPY AND PROPHYLAXIS OF OSTEOPOROSIS, CONGESTIVE HEART FAILURE, FRAILTY ASSOCIATED WITH AGING AND OBESITY, ACCELERATING BONE FRACTURE REPAIR PFIZER INC. 2001-08-21 US disclosed
US-6124264-A GROWTH HORMONE SECRETAGOGUE IN A HUMAN OR OTHER ANIMAL TO TREAT OSTEOPOROSIS, CONGESTIVE HEART FAILURE, AGING, OBESITY; BONE AND WOUND HEALING AGENTS PFIZER INC. (US) 2000-09-26 US disclosed
US-6110932-A INCREASE THE LEVEL OF ENDOGENOUS GROWTH HORMONE FOR THE TREATMENT AND PREVENTION OF OSTEOPOROSIS, CONGESTIVE HEART FAILURE, FRAILTY ASSOCIATED WITH AGING, OBESITY; ACCELERATING BONE FRACTURE REPAIR, ACCELERATING WOUND HEALING PFIZER INC. (US) 2000-08-29 US disclosed
US-6107306-A OSTEOPOROSIS PFIZER INC. (US) 2000-08-22 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 (2 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 GHSR 2/4885PPARA 725/4885PPARG 284/4885
US-20020049196-A1 Growth-hormone secretagogues GHSR, GHRHR, IGFBP6 GHSR 1/4885PPARA 2011/4885PPARG 333/4885

“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.