SCHEMBL5229201

SCHEMBL5229201

CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCN2C(=O)N(CC(F)(F)F)C(=O)[C@]2(Cc2ccccn2)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.38
REN P00797 4/20 0.33
SCN9A Q15858 4/20 0.33
SIGMAR1 Q99720 3/20 0.33
P2RY12 Q9H244 1/20 0.32
TGM2 P21980 2/20 0.32
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL5230927 0.90 GHSR (0.45) GHSRCYP3A4
SCHEMBL5228589 0.90 GHSR (0.45) GHSRCYP3A4
SCHEMBL5224946 0.89 GHSR (0.45) GHSRTGM2MMP1MMP3MMP9
SCHEMBL5227898 0.89 GHSR (0.45) GHSRTGM2MMP1MMP3MMP9
Hydrochloric Acid SCHEMBL7687555 0.89 GHSR (0.45) GHSRTGM2MMP1MMP3MMP9
SCHEMBL5224961 0.80 GHSR (0.55) GHSRCYP3A4
SCHEMBL3840114 0.80 GHSR (0.55) GHSRCYP3A4
SCHEMBL7539784 0.80 GHSR (0.32) GHSRSIGMAR1
SCHEMBL5226491 0.78 ACHE (0.38)
SCHEMBL5228646 0.78 ACHE (0.38)

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-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-20040009984-A1 Increasing levels of endogenous growth hormone, especially treating osterporosis, aging frailty or congestive heart failure CARPINO PHILIP ALBERT (US) 2004-01-15 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-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-20020042415-A1 Dipeptide derivatives CARPINO PHILIP ALBERT (US) 2002-04-11 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 (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-20040009984-A1 Increasing levels of endogenous growth hormone, especially treating osterporosis, aging frailty or congestive heart failure GHSR, GHRHR, GIPR GHSR 1/4885REN 905/4885SCN9A 4264/4885
US-20020042415-A1 Dipeptide derivatives GIPR, GHRHR, GHSR GHSR 3/4885REN 1594/4885SCN9A 4695/4885
US-20040006063-A1 Dipeptide derivatives GIPR, GHRHR, GHSR GHSR 3/4885REN 1656/4885SCN9A 4436/4885
US-20030216399-A1 Dipeptide derivatives GIPR, GHRHR, GHSR GHSR 3/4885REN 1594/4885SCN9A 4695/4885

“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.