SCHEMBL704827

SCHEMBL704827

COc1ccc(C#Cc2ccccn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.68
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
APP P05067 2/20 0.50
HAO1 Q9UJM8 1/20 0.49
FFAR1 O14842 1/20 0.49
KCNH2 Q12809 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HCRTR1 O43613 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL4980429 0.83 GRM5 (0.68) GRM5HAO1NPC1RAB9AHCRTR1
Hydrochloric Acid SCHEMBL3839867 0.82 GRM5 (0.67) GRM5TDP1HAO1NPC1RAB9A
SCHEMBL3959103 0.81 GRM5 (1.00) GRM5TDP1L3MBTL1NPC1RAB9A
SCHEMBL14573615 0.81 GRM5 (1.00) GRM5TDP1L3MBTL1NPC1RAB9A
SCHEMBL1809895 0.79 FFAR1 (0.58) GRM5APPFFAR1KCNH2NPC1
SCHEMBL30214468 0.79 FFAR1 (0.58) GRM5APPFFAR1KCNH2NPC1
SCHEMBL1578523 0.79 GRM5 (0.58) GRM5TDP1NPC1RAB9AHCRTR1
SCHEMBL9496175 0.79 MCHR1 (0.57) GRM5APPKCNH2
Hydrochloric Acid SCHEMBL19668206 0.77 FFAR1 (0.57) GRM5APPFFAR1KCNH2NPC1
SCHEMBL5552160 0.77 APP (0.65) TDP1L3MBTL1APPFFAR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677740-A Preparation method of N, O-boron difluoride complex 华南理工大学 2023-02-03 CN disclosed
CN-108794385-B Method for synthesizing phenylethynyl pyridine derivative 陕西师范大学 2021-09-21 CN disclosed
US-8124584-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS MIAO ZHENWEI 2009-12-10 US disclosed
US-7601709-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
EP-1590442-A4 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2007-07-18 EP disclosed
EP-1590442-A3 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-03 EP disclosed
EP-1590442-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-02 EP disclosed
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-07-14 US disclosed
WO-2004072243-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-08-26 WO disclosed
US-6686345-B2 INCLUDES AN AZA-ENEDIYNE, AZA-ENYNE ALLENE, OR AN AZA-DIALLENE; ARE PREFERABLY NON-HYDROLYZABLE, CATIONIC COMPOUNDS THAT BIND TO NUCLEIC ACIDS. RESEARCH DEVELOPMENT FOUNDATION 2004-02-03 US 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-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 GRM5 4631/4885TDP1 4042/4885L3MBTL1 3122/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 GRM5 4643/4885TDP1 4007/4885L3MBTL1 3466/4885

“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.