SCHEMBL6513822

SCHEMBL6513822

O=[C][C@@H](Cc1ccccc1)NCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.44
EPHX1 P07099 2/20 0.42
CYP1A2 P05177 2/20 0.42
TAAR1 Q96RJ0 4/20 0.41
SLC18A2 Q05940 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL1308857 1.00 CTSC (0.44) CTSCEPHX1CYP1A2TAAR1SLC18A2
SCHEMBL1308859 1.00 CTSC (0.44) CTSCEPHX1CYP1A2TAAR1SLC18A2
SCHEMBL1310109 0.82 TAAR1 (0.53) CTSCCYP1A2TAAR1SLC18A2SIGMAR1
SCHEMBL1086155 0.82 TAAR1 (0.53) CTSCCYP1A2TAAR1SLC18A2SIGMAR1
SCHEMBL5031408 0.82 CTSC (0.46) CTSCEPHX1CYP1A2TAAR1SLC18A2
SCHEMBL1308687 0.82 CTSC (0.42) CTSCEPHX1CYP1A2TAAR1SLC18A2
SCHEMBL8776735 0.82 CTSC (0.42) CTSCEPHX1CYP1A2TAAR1SLC18A2
SCHEMBL5031407 0.82 CTSC (0.46) CTSCEPHX1CYP1A2TAAR1SLC18A2
SCHEMBL8776731 0.82 CTSC (0.42) CTSCEPHX1CYP1A2TAAR1SLC18A2
SCHEMBL1529264 0.82 CTSC (0.46) CTSCEPHX1CYP1A2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124548-A1 Peptide antiangiogenic drugs HENKIN JACK (US) 2005-06-09 US claimed
US-6716963-B1 OLIGOPEPTIDES ABBOTT LABORATORIES 2004-04-06 US claimed
EP-1078002-A1 PEPTIDE ANTIANGIOGENIC DRUGS ABBOTT LABORATORIES (US) 2001-02-28 EP claimed
WO-1999061476-A1 PEPTIDE ANTIANGIOGENIC DRUGS ABBOTT LABORATORIES (US) 1999-12-02 WO claimed
US-20050124548-A1 Peptide antiangiogenic drugs HENKIN JACK (US) 2005-06-09 US disclosed
US-6774211-B1 Peptide antiangiogenic drugs ABBOTT LABORATORIES 2004-08-10 US disclosed
US-6716963-B1 OLIGOPEPTIDES ABBOTT LABORATORIES 2004-04-06 US disclosed
EP-1078002-A1 PEPTIDE ANTIANGIOGENIC DRUGS ABBOTT LABORATORIES (US) 2001-02-28 EP disclosed
WO-1999061476-A1 PEPTIDE ANTIANGIOGENIC DRUGS ABBOTT LABORATORIES (US) 1999-12-02 WO disclosed
EP-0564972-B1 Peptides with N-terminal modifications having bradykinin antagonistic activity HOECHST AG (DE) 1999-08-11 EP disclosed
EP-0455133-B1 Peptide antagonists of bradykinin HOECHST AG (DE) 1997-03-05 EP disclosed
EP-0413277-B1 Peptide antagonists of bradykinin HOECHST AG (DE) 1994-11-23 EP disclosed
EP-0564972-A2 Peptides with N-terminal modifications having bradykinin antagonistic activity HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-13 EP disclosed
EP-0455133-A2 Peptide antagonists of bradykinin HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-06 EP disclosed
EP-0413277-A1 Peptide antagonists of bradykinin HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-20 EP 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-20050124548-A1 Peptide antiangiogenic drugs VEGFA, NPPA, FLT1 CTSC 767/4885EPHX1 3113/4885CYP1A2 3515/4885

“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.