SCHEMBL4678317

SCHEMBL4678317

C[C@@H](N)C(=O)NNC(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.55
KISS1R Q969F8 3/20 0.54
CTRB1 P17538 3/20 0.52
FCER2 P06734 2/20 0.52
MMP1 P03956 2/20 0.52
ACE P12821 1/20 0.50
HPGDS O60760 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL4677854 1.00 GHSR (0.55) GHSRKISS1RCTRB1FCER2MMP1
SCHEMBL8303346 0.88 FCER2 (0.51) GHSRKISS1RFCER2MMP1ACE
SCHEMBL22563313 0.87 CTRB1 (0.62) CTRB1FCER2MMP1ACE
SCHEMBL10448470 0.87 CTRB1 (0.62) CTRB1FCER2MMP1ACE
SCHEMBL4680377 0.84 GHSR (0.80) GHSRKISS1R
SCHEMBL4675994 0.84 GHSR (0.80) GHSRKISS1R
SCHEMBL29655902 0.82 CTRB1 (0.57) CTRB1FCER2MMP1ACE
SCHEMBL4680714 0.81 HPGDS (0.50) FCER2MMP1HPGDS
SCHEMBL15851264 0.80 FCER2 (0.62) FCER2MMP1ACE
SCHEMBL14269021 0.80 FCER2 (0.62) FCER2MMP1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP claimed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US claimed
EP-1633702-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-15 EP claimed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 WO claimed
EP-1975153-A2 Protease inhibitors Prozymex A/S (DK) 2008-10-01 EP disclosed
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US disclosed
EP-1633702-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-15 EP disclosed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 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 (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-20070155803-A1 Protease inhibitors DPP7, DPP9, DPP3 GHSR 344/4885KISS1R 1337/4885CTRB1 431/4885

“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.