SCHEMBL177813

SCHEMBL177813

O=C(Cl)CC1CCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.50
HPGD P15428 3/20 0.50
KMT2A Q03164 1/20 0.50
EPHX2 P34913 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALOX5 P09917 1/20 0.40
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
P2RX7 Q99572 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL9062594 1.00 EPHX1 (0.50) EPHX1HPGDKMT2AEPHX2NPC1
SCHEMBL458819 1.00 EPHX1 (0.50) EPHX1HPGDKMT2AEPHX2NPC1
SCHEMBL14606390 1.00 EPHX1 (0.50) EPHX1HPGDKMT2AEPHX2NPC1
SCHEMBL14456382 1.00 EPHX1 (0.50) EPHX1HPGDKMT2AEPHX2NPC1
SCHEMBL10608274 1.00 EPHX1 (0.50) EPHX1HPGDKMT2AEPHX2NPC1
SCHEMBL30537390 0.97 EPHX1 (0.48) EPHX1HPGDKMT2AEPHX2NPC1
SCHEMBL329988 0.97
SCHEMBL2650273 0.92
SCHEMBL2566815 0.86 KMT2A (0.39) EPHX1HPGDKMT2AEPHX2NPC1
SCHEMBL14947978 0.86 TDP1 (0.35) EPHX1HPGDKMT2AALOX5

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250228882-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VENATORX PHARMACEUTICALS INC (US) 2025-07-17 US disclosed
WO-2024129963-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. (US) 2024-06-20 WO disclosed
WO-2023196458-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. (US) 2023-10-12 WO disclosed
WO-2023196458-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. (US) 2023-10-12 WO disclosed
EP-2362765-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2020-04-08 EP disclosed
EP-2569281-A1 NOVEL METHODS FOR THE PREPARATION OF P2X7R ANTAGONISTS Affectis Pharmaceuticals AG (DE) 2013-03-20 EP disclosed
US-20130060047-A1 NOVEL METHODS FOR THE PREPARATION OF P2X7R ANTAGONISTS AFFECTIS PHARMACEUTICALS AG (DE) 2013-03-07 US disclosed
US-20130060047-A1 NOVEL METHODS FOR THE PREPARATION OF P2X7R ANTAGONISTS AFFECTIS PHARMACEUTICALS AG (DE) 2013-03-07 US disclosed
US-20130060047-A1 NOVEL METHODS FOR THE PREPARATION OF P2X7R ANTAGONISTS AFFECTIS PHARMACEUTICALS AG (DE) 2013-03-07 US disclosed
US-8268861-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2012-09-18 US disclosed
WO-2010118921-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2010-10-21 WO disclosed
US-20100168217-A1 SULFAMATOBENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2010-07-01 US disclosed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed
EP-1860942-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2007-12-05 EP disclosed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US disclosed
WO-2006102610-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO disclosed
US-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction RENOVIS, INC. 2006-09-28 US disclosed
US-4691019-A Anorectic agent; 4-(3-trifluoromethylphenyl)-1-(2-cyanoethyl)-1,2,3,6-tetrahydropyridine SANOFI (FR) 1987-09-01 US disclosed
US-4602024-A Substituted trifluoromethylphenyltetrahydropyridines having a cyano substituent and an anorectic activity, a process for preparing same and pharmaceutical compositions SANOFI (FR) 1986-07-22 US disclosed
US-4472408-A Substituted trifluoromethylphenyltetrahydropyridines having an anorectic activity SANOFI (FR) 1984-09-18 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 (5 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-20100168217-A1 SULFAMATOBENZOTHIOPHENE DERIVATIVES SULT1A1, SULT1E1, SULT2A1 EPHX1 678/4885HPGD 909/4885KMT2A 1202/4885
US-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction PARK7, UACA, PTGER4 EPHX1 1197/4885HPGD 198/4885KMT2A 3134/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 EPHX1 337/4885HPGD 368/4885KMT2A 4614/4885
US-20130060047-A1 NOVEL METHODS FOR THE PREPARATION OF P2X7R ANTAGONISTS P2RX7, P2RX3, P2RX2 EPHX1 788/4885HPGD 1285/4885KMT2A 3068/4885
US-20250228882-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP EPHX1 949/4885HPGD 820/4885KMT2A 3232/4885

“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.