SCHEMBL82303

SCHEMBL82303

N#Cc1cccc(C#CCO)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
ENPP2 Q13822 1/20 0.46
GSK3B P49841 1/20 0.43
GRM5 P41594 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MELK Q14680 1/20 0.41

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
SCHEMBL32144372 1.00 FFAR1 (0.47) FFAR1ENPP2GSK3BGRM5ALDH1A1
SCHEMBL5633251 0.89 ALDH1A1 (0.47) FFAR1GRM5ALDH1A1MELK
SCHEMBL24300824 0.85 ASIC3 (0.48) FFAR1ENPP2GSK3BGRM5
SCHEMBL30873480 0.80 GRM5 (0.55) FFAR1ENPP2GRM5
SCHEMBL29186210 0.80 GSK3B (0.47) FFAR1ENPP2GSK3BGRM5
SCHEMBL7050853 0.80 ALDH1A1 (0.41) FFAR1ALDH1A1MELK
SCHEMBL30866195 0.80 GSK3B (0.47) FFAR1ENPP2GSK3BGRM5
SCHEMBL24358854 0.80 FFAR1 (0.44) FFAR1ENPP2GSK3BGRM5
SCHEMBL30536352 0.80 FFAR1 (0.44) FFAR1ENPP2GSK3BGRM5
SCHEMBL78831 0.79 CA2 (0.48) ENPP2GSK3BALDH1A1MELK

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
EP-4685143-A1 DOUBLE REGULATOR FOR MGLUR5 AND HDAC6 AND USE THEREOF Vivozon,Inc. (KR) 2026-01-28 EP disclosed
WO-2024196136-A1 DOUBLE REGULATOR FOR MGLUR5 AND HDAC6 AND USE THEREOF 주식회사 비보존 2024-09-26 WO disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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 (2 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI FFAR1 1590/4885ENPP2 455/4885GSK3B 1381/4885
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C FFAR1 1919/4885ENPP2 1336/4885GSK3B 1973/4885

“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.