SCHEMBL2557403

SCHEMBL2557403

O=C(O)C#Cc1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
HSP90AA1 P07900 1/20 0.44
AGTR1 P30556 1/20 0.44
PAX8 Q06710 1/20 0.44
TLR9 Q9NR96 1/20 0.44
PTPN1 P18031 2/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
POLB P06746 4/20 0.39
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
BLM P54132 2/20 0.39
PKM P14618 1/20 0.39
PTPN7 P35236 1/20 0.39
ESR2 Q92731 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
HCAR2 Q8TDS4 1/20 0.37

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
SCHEMBL31568083 0.82 ALOX5 (0.47) ALOX5RAB9ANPC1HSP90AA1AGTR1
SCHEMBL9132614 0.81 HSP90AA1 (0.51) ALOX5RAB9ANPC1HSP90AA1AGTR1
SCHEMBL1799185 0.77 ALOX5 (0.43) ALOX5RAB9ANPC1HSP90AA1AGTR1
SCHEMBL5517928 0.72 ALOX5 (0.44) ALOX5RAB9ANPC1HSP90AA1AGTR1
SCHEMBL11911412 0.71 ALOX5 (0.42) ALOX5RAB9ANPC1HSP90AA1AGTR1
SCHEMBL4170184 0.70 APP (0.55) ALOX5RAB9ANPC1HSP90AA1AGTR1
SCHEMBL6240281 0.69 ALOX5 (0.48) ALOX5RAB9ANPC1HSP90AA1AGTR1
SCHEMBL1048506 0.69
SCHEMBL18244837 0.69
SCHEMBL7109005 0.69

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
EP-1765816-B1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS GRUENENTHAL GMBH (DE) 2010-03-10 EP disclosed
US-7300939-B2 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-11-27 US disclosed
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-05-17 US disclosed
EP-1765816-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2007-03-28 EP disclosed
WO-2006002981-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2006-01-12 WO disclosed
US-6177438-B1 ANALGESICS, DIURETICS, ANTITUSSIVE AGENTS TORAY INDUSTRIES, INC. (JP) 2001-01-23 US disclosed
EP-0663401-A1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES, INC. (JP) 1995-07-19 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-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRM5, GRIK5, GRM1 ALOX5 829/4885RAB9A 2783/4885NPC1 1584/4885

“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.