SCHEMBL2306348

SCHEMBL2306348

CCOC(=O)c1cccc(N2CCNCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.58
ADRB1 P08588 3/20 0.54
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HTR1A P08908 1/20 0.50
CYP2D6 P10635 1/20 0.50
THRB P10828 1/20 0.50
CYP2C9 P11712 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
SLC6A4 P31645 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR7 P34969 1/20 0.50

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
Tert-Butyl Formate SCHEMBL27797049 0.90 ALOX5 (0.49) ALOX5ADRB1ATMSMN1; SMN2ALDH1A1
SCHEMBL28641840 0.90 TLR2 (0.52) ALOX5ADRB1ALDH1A1LMNAHTR3E
SCHEMBL7415674 0.87 TLR2 (0.55) ALOX5ADRB1SMN1; SMN2LMNAHTR3E
SCHEMBL3097713 0.86 ALOX5 (0.60) ALOX5ATMSMN1; SMN2ALDH1A1LMNA
SCHEMBL10144997 0.86 ALOX5 (0.60) ALOX5ATMSMN1; SMN2ALDH1A1LMNA
SCHEMBL8698788 0.85 PLOD2 (0.56) ALOX5ATMSMN1; SMN2ALDH1A1LMNA
SCHEMBL2876503 0.85 ADRB1 (0.59) ADRB1ALDH1A1HTR3EHTR3BTP53
SCHEMBL8698430 0.84 KMO (0.63) ALOX5ATMSMN1; SMN2ALDH1A1LMNA
SCHEMBL14881542 0.83 ALOX5 (0.56) ALOX5ATMSMN1; SMN2ALDH1A1LMNA
SCHEMBL62795 0.83 HPGD (0.56) ADRB1SMN1; SMN2ALDH1A1LMNAHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743446-A1 NITRO-CONTAINING COMPOUNDS THAT KILL MYCOBACTERIA Board of Trustees of Michigan State University (US) 2026-05-20 EP disclosed
US-20250388584-A1 TPK AGONIST AND METHOD FOR TREATING NEURODEGENERATIVE DISEASES USING SAME SHANGHAI RAISING PHARMACEUTICAL CO LTD (CN) 2025-12-25 US disclosed
EP-4556007-A1 TPK AGONIST AND METHOD FOR TREATING NEURODEGENERATIVE DISEASES USING SAME Shanghai Raising Pharmaceutical Co., Ltd. (CN) 2025-05-21 EP disclosed
WO-2025015066-A1 NITRO-CONTAINING COMPOUNDS THAT KILL MYCOBACTERIA BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2025-01-16 WO disclosed
WO-2024012554-A1 TPK AGONIST AND METHOD FOR TREATING NEURODEGENERATIVE DISEASES USING SAME 上海日馨医药科技股份有限公司 2024-01-18 WO disclosed
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 EP disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-8211914-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
EP-2378878-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-10-26 EP disclosed
EP-2350311-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
WO-2004010942-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS MODULATORS OF THE CCR5 RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 WO disclosed
EP-1313477-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2003-05-28 EP disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 EP disclosed
EP-1210340-A1 SUBSTITUTED PIPERAZINE DERIVATIVES, THE PRODUCTION THEREOF AND THEIR UTILIZATION AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2002-06-05 EP disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP disclosed
WO-2002005819-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-24 WO disclosed
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
WO-2001014355-A1 SUBSTITUTED PIPERAZINE DERIVATIVES, THE PRODUCTION THEREOF AND THEIR UTILIZATION AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-01 WO disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 WO disclosed
WO-1998002432-A1 BICYCLIC COMPOUNDS FOR CONTROLLING MICTURITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-22 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 (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-20250388584-A1 TPK AGONIST AND METHOD FOR TREATING NEURODEGENERATIVE DISEASES USING SAME PDXK, SLC19A2, NADK ALOX5 1543/4885ADRB1 158/4885ATM 838/4885

“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.