SCHEMBL5745774

SCHEMBL5745774

C[C@@H](CO)NC(=O)[C@H](N)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.58
CYP3A4 P08684 1/20 0.57
MAPK1 P28482 1/20 0.57
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
PTGS1 P23219 1/20 0.54
XIAP P98170 1/20 0.54
SLC7A5 Q01650 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SLC15A1 P46059 1/20 0.51
CTRB1 P17538 3/20 0.51
LMNA P02545 1/20 0.51
LTA4H P09960 1/20 0.50
OPRD1 P41143 2/20 0.49
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49
ANPEP P15144 1/20 0.49
RNPEP Q9H4A4 1/20 0.49
DNPEP Q9ULA0 1/20 0.49

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
SCHEMBL970530 0.90 NPC1 (0.67) CTSCCYP3A4MAPK1ALPIPKM
SCHEMBL10135745 0.90 NPC1 (0.67) CTSCCYP3A4MAPK1ALPIPKM
SCHEMBL30573673 0.90 NPC1 (0.67) CTSCCYP3A4MAPK1ALPIPKM
SCHEMBL26222777 0.88 CTSC (0.58) CTSCCYP3A4MAPK1ALPIPKM
SCHEMBL974013 0.88 NPC1 (0.63) CTSCCYP3A4MAPK1ALPIPKM
SCHEMBL10195699 0.88 NPC1 (0.63) CTSCCYP3A4MAPK1ALPIPKM
SCHEMBL23463558 0.86 LTA4H (0.59) CTSCALPIPKMPTGS1XIAP
SCHEMBL22803631 0.86 LTA4H (0.59) CTSCALPIPKMPTGS1XIAP
SCHEMBL15421957 0.85 CTSC (0.63) CTSCCYP3A4MAPK1ALPIPKM
SCHEMBL10800384 0.85 CTSC (0.63) CTSCCYP3A4MAPK1ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060223814-A1 Nk-2 antagonist basic linear compounds and formulations containing them MENARINI RICERCHE S.P.A. (IT) 2006-10-05 US disclosed
EP-1620432-A1 NK-2 ANTAGONIST BASIC LINEAR COMPOUNDS AND FORMULATIONS CONTAINING THEM Menarini Ricerche S.p.A. (IT) 2006-02-01 EP disclosed
WO-2004094412-A1 NK-2 ANTAGONIST BASIC LINEAR COMPOUNDS AND FORMULATIONS CONTAINING THEM MENARINI RICERCHE S.P.A. (IT) 2004-11-04 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-20060223814-A1 Nk-2 antagonist basic linear compounds and formulations containing them BDKRB2, KLK2, BDKRB1 CTSC 779/4885CYP3A4 1308/4885MAPK1 1428/4885

“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.