SCHEMBL6319923

SCHEMBL6319923

CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1csc2ccccc12)N(C)C(=O)c1cccc(CN)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.39
KLKB1 P03952 4/20 0.38
KLK1 P06870 3/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
MAPT P10636 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
TACR1 P25103 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PYGL P06737 1/20 0.35
SLC7A5 Q01650 1/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 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
SCHEMBL6319699 0.93 KLKB1 (0.43) TP53KLKB1KLK1MMP2MMP9
SCHEMBL6319162 0.92 TP53 (0.37) TP53KLKB1KLK1MMP2MMP9
SCHEMBL6318941 0.92 TP53 (0.37) TP53KLKB1KLK1MMP2MMP9
SCHEMBL6325996 0.89 MMP2 (0.38) TP53KLKB1KLK1MMP2MMP9
SCHEMBL7204023 0.89 TACR1 (0.37) TP53KLKB1KLK1MMP2MMP9
SCHEMBL6319686 0.85 MMP2 (0.44) TP53MMP2MMP9MMP8MAPT
SCHEMBL6321057 0.84 BACE1 (0.43) KLKB1KLK1MAPTSLC7A5
SCHEMBL6319176 0.82 KLKB1 (0.37) KLKB1KLK1MMP2MMP9MMP8
SCHEMBL6317903 0.81 GHSR (0.44) KLKB1KLK1MAPTSLC7A5
SCHEMBL6325113 0.81 BACE1 (0.38) KLKB1KLK1MAPTSLC7A5

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 14 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
EP-1565239-A2 LIQUID PHARMACEUTICAL FORMULATIONS CONTAINING 3,7-DIAZABICYCLO'3,3,1! NONANES FOR TREATING ANTI-ARRHYTHMIC EVENTS Solvay Pharmaceuticals GmbH (DE) 2005-08-24 EP disclosed
WO-2004045591-A2 LIQUID PHARMACEUTICAL FORMULATIONS CONTAINING 3,7-DIAZABICYCLO`3,3,1! NONANES FOR TREATING ANTI-ARRHYTHMIC EVENTS SOLVAY PHARMACEUTICALS GMBH (DE) 2004-06-03 WO 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 TP53 3919/4885KLKB1 988/4885KLK1 802/4885
US-20030040483-A1 Compounds with growth hormone releasing properties GHRHR, GHSR, GRPR TP53 3784/4885KLKB1 1152/4885KLK1 838/4885

“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.