SCHEMBL6320145

SCHEMBL6320145

CCC(N)COCC(=O)N(C)[C@H](COCc1ccccc1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.39
S1PR1 P21453 1/20 0.39
BACE1 P56817 1/20 0.37
MAOB P27338 1/20 0.36
MMP1 P03956 4/20 0.35
MMP3 P08254 4/20 0.35
SLC1A1 P43005 1/20 0.35
KLKB1 P03952 2/20 0.34
MMP12 P39900 1/20 0.34
MMP8 P22894 2/20 0.34
MMP9 P14780 1/20 0.34
KLK1 P06870 1/20 0.34

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
SCHEMBL6326078 0.94 S1PR1 (0.39) TACR1S1PR1MAOBMMP1MMP3
SCHEMBL6318940 0.91 MMP12 (0.38) TACR1S1PR1BACE1MMP1MMP3
SCHEMBL6318955 0.90 CTSC (0.35) TACR1S1PR1BACE1MMP1MMP3
SCHEMBL6320709 0.89 CYP1A2 (0.39) MMP3KLKB1MMP8MMP9KLK1
SCHEMBL6320267 0.86 S1PR1 (0.38) S1PR1MAOBMMP1MMP3KLKB1
SCHEMBL6316964 0.85 GHSR (0.42) TACR1KLKB1MMP8MMP9
SCHEMBL8912693 0.85 GHSR (0.42) TACR1KLKB1MMP8MMP9
SCHEMBL6324563 0.83 MMP3 (0.43) MMP1MMP3KLKB1MMP9KLK1
SCHEMBL6325109 0.83 CYP1A2 (0.35) MMP3KLKB1KLK1
SCHEMBL6317679 0.83 MMP2 (0.37) TACR1KLKB1MMP8MMP9KLK1

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
US-20030055261-A1 Compounds with growth hormone releasing properties HELSINN THERAPEUTICS (U.S.), INC. 2003-03-20 US claimed
US-20030040483-A1 Compounds with growth hormone releasing properties HELSINN THERAPEUTICS (U.S.), INC. 2003-02-27 US claimed
EP-0869974-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-10-14 EP claimed
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO claimed
US-6939880-B2 Compounds with growth hormone releasing properties NOVO NORDISK A/S (DK) 2005-09-06 US disclosed
US-6555570-B2 Growth hormone secretagogous with improved bioavailability NOVO NORDISK A/S (DE) 2003-04-29 US disclosed
US-20030055261-A1 Compounds with growth hormone releasing properties HELSINN THERAPEUTICS (U.S.), INC. 2003-03-20 US disclosed
US-20030040483-A1 Compounds with growth hormone releasing properties HELSINN THERAPEUTICS (U.S.), INC. 2003-02-27 US disclosed
US-6127391-A A PEPTIDE MIMETIC COMPOUND FOR STIMULATING THE RELEASE OF GROWTH HORMONE FROM THE PITUITARY NOVO NORDISK A/S (DK) 2000-10-03 US disclosed
US-5977178-A Compounds with growth hormone releasing properties NOVO NORDISK A/S (DK) 1999-11-02 US disclosed
EP-0869974-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-10-14 EP disclosed
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO 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-20030055261-A1 Compounds with growth hormone releasing properties GHRHR, GHSR, IGFBP1 TACR1 241/4885S1PR1 717/4885BACE1 528/4885
US-20030040483-A1 Compounds with growth hormone releasing properties GHRHR, GHSR, GRPR TACR1 232/4885S1PR1 790/4885BACE1 567/4885

“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.