SCHEMBL5744716

SCHEMBL5744716

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.68
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
TAAR1 Q96RJ0 3/20 0.49
SLC1A3 P43003 2/20 0.49
SLC1A2 P43004 2/20 0.49
SLC1A1 P43005 2/20 0.49
CYP1A2 P05177 1/20 0.47
EPHX1 P07099 2/20 0.47
LAP3 P28838 3/20 0.46
ANPEP P15144 1/20 0.46
SRR Q9GZT4 1/20 0.44
SLC6A2 P23975 2/20 0.44
MAOA P21397 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL5914364 1.00 SLC15A1 (0.68) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL5744720 1.00 SLC15A1 (0.68) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL5914363 1.00 SLC15A1 (0.68) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL15756473 0.88 SLC15A1 (0.58) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL15756471 0.88 SLC15A1 (0.58) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL5814047 0.87 SLC15A1 (0.53) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL2348641 0.82 SLC15A1 (0.64) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7416137 0.82 SLC15A1 (0.55) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7416145 0.82 SLC15A1 (0.55) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7416141 0.82 SLC15A1 (0.55) SLC15A1ALPIPKMPTGS1XIAP

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 SLC15A1 1201/4885ALPI 3046/4885PKM 265/4885

“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.