SCHEMBL5225801

SCHEMBL5225801

CC(N)C(=O)NC[C@H](COCc1ccccc1)C(=O)N1CCN2C(=O)N(CC(F)(F)F)C(=O)[C@]2(Cc2ccccn2)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.38
CYP1A2 P05177 3/20 0.33
CYP2D6 P10635 3/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.32
CARM1 Q86X55 1/20 0.32
UGCG Q16739 3/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SCD O00767 1/20 0.31
XIAP P98170 1/20 0.31
RAB9A P51151 1/20 0.30
TACR1 P25103 1/20 0.30

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
SCHEMBL6638381 0.87 GHSR (0.39) GHSRMAPTUGCGCYP3A4ALDH1A1
SCHEMBL5224961 0.83 GHSR (0.55) GHSRUGCGCYP3A4
SCHEMBL3840114 0.83 GHSR (0.55) GHSRUGCGCYP3A4
SCHEMBL6633523 0.81 GHSR (0.43) GHSRUGCGCYP3A4
SCHEMBL7595422 0.80 UGCG (0.45) GHSRUGCGCYP3A4
SCHEMBL6791812 0.79 GHSR (0.43) GHSRUGCGCYP3A4TACR1
SCHEMBL6634185 0.79 GHSR (0.43) GHSRUGCGCYP3A4TACR1
SCHEMBL5228589 0.79 GHSR (0.45) GHSRUGCGCYP3A4
SCHEMBL5230927 0.79 GHSR (0.45) GHSRUGCGCYP3A4
SCHEMBL6633620 0.78 GHSR (0.45) GHSRUGCGCYP3A4

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 2 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 1/4885CYP1A2 1998/4885CYP2D6 1161/4885

“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.