SCHEMBL5228864

SCHEMBL5228864

CC1C[C@]2(Cc3ccccc3)CN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)CCN2C1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.46
PPARA Q07869 2/20 0.41
KLK7 P49862 2/20 0.40
KLK5 Q9Y337 2/20 0.40
CTSS P25774 1/20 0.40
PPARG P37231 1/20 0.38
UGCG Q16739 4/20 0.37
CYP3A4 P08684 1/20 0.37
RAB9A P51151 1/20 0.36
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35

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
SCHEMBL5228860 1.00 GHSR (0.46) GHSRPPARAKLK7KLK5CTSS
SCHEMBL5226710 0.88 GHSR (0.59) GHSRUGCGCYP3A4
SCHEMBL5226714 0.88 GHSR (0.59) GHSRUGCGCYP3A4
SCHEMBL5226453 0.87 GHSR (0.49) GHSRPPARAKLK7KLK5CTSS
SCHEMBL6694179 0.83 GHSR (0.48) GHSRPPARAKLK7KLK5CTSS
SCHEMBL5231098 0.82 GHSR (0.43) GHSRPPARACTSSUGCGCYP3A4
SCHEMBL7903082 0.82 GHSR (0.47) GHSRPPARAKLK7KLK5CTSS
SCHEMBL5230759 0.82 GHSR (0.50) GHSRPPARAKLK7KLK5CTSS
SCHEMBL5248256 0.80 GHSR (0.51) GHSRPPARAKLK7KLK5CTSS
SCHEMBL5248248 0.80 GHSR (0.51) GHSRPPARAKLK7KLK5CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001970-B1 DIPEPTIDE DERIVATIVES AS GROWTH HORMONE SECRETAGOGUES PFIZER (US) 2007-03-07 EP disclosed
US-6953791-B2 Dipeptide derivatives PFIZER, INC. (US) 2005-10-11 US disclosed
US-6951850-B2 Dipeptide derivatives PFIZER, INC. (US) 2005-10-04 US disclosed
US-6924280-B2 Dipeptide derivatives PFIZER INC. (US) 2005-08-02 US disclosed
US-RE38524-E1 Dipeptide derivatives as growth hormone secretagogues PFIZER INC. 2004-06-01 US disclosed
US-20040006063-A1 Dipeptide derivatives CARPINO PHILIP ALBERT (US) 2004-01-08 US disclosed
US-20030216399-A1 Dipeptide derivatives CARPINO PHILIP ALBERT (US) 2003-11-20 US disclosed
US-6525047-B2 Which are growth hormone secretogogues and increase the level of endogenous growth hormone; treating osteoporosis, congestive heart failure, frailty associated with aging, obesity; accelerating bone fracture repair PFIZER INC. 2003-02-25 US disclosed
US-6432945-B1 Dipeptide derivatives PFIZER INC. 2002-08-13 US disclosed
US-6433171-B1 FOR OSTEOPOROSIS AND/OR FRAILTY, CONGESTIVE HEART FAILURE, FRAILTY ASSOCIATED WITH AGING, OBESITY; ACCELERATING BONE FRACTURE REPAIR, ATTENUATING PROTEIN CATABOLIC RESPONSE AFTER A MAJOR OPERATION, REDUCING CACHEXIA AND PROTEIN LOSS PFIZER INC. 2002-08-13 US disclosed
US-6429313-B2 Dipeptide derivatives PFIZER INC. 2002-08-06 US disclosed
US-6251902-B1 Dipeptide derivatives as growth hormone secretagogues PFIZER INC. 2001-06-26 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-20040006063-A1 Dipeptide derivatives GIPR, GHRHR, GHSR GHSR 3/4885PPARA 1586/4885KLK7 3027/4885
US-20030216399-A1 Dipeptide derivatives GIPR, GHRHR, GHSR GHSR 3/4885PPARA 1854/4885KLK7 2416/4885

“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.