SCHEMBL7233237

SCHEMBL7233237

CN(Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.53
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CTSS P25774 2/20 0.46
POLB P06746 1/20 0.42
EPHX2 P34913 1/20 0.41
TSHR P16473 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP2A6 P11509 1/20 0.40
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
SNCA P37840 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL30947346 0.93 NSD2 (0.48) NSD2CTSLCTSBCTSSPOLB
SCHEMBL1009189 0.87 NSD2 (0.45) NSD2CTSLCTSBCTSSPOLB
SCHEMBL29637970 0.86 NSD2 (0.45) NSD2CTSLCTSBCTSSPOLB
SCHEMBL21996676 0.86 PPARA (0.43) NSD2EPHX2TSHRCYP2A6PPARD
SCHEMBL21997473 0.85 CTSS (0.46) NSD2CTSLCTSBCTSSHTR2C
SCHEMBL30275188 0.85 CTSL (0.41) NSD2CTSLCTSBCTSSHTR2C
SCHEMBL6424007 0.84 NSD2 (0.43) NSD2CTSLCTSBCTSSPOLB
SCHEMBL21998217 0.83 PPARA (0.41) NSD2EPHX2TSHRPPARDPPARA
SCHEMBL320434 0.83 MEP1A (0.49) CTSLCTSBCTSSCHRM2CHRM1
SCHEMBL1009190 0.83 NSD2 (0.42) NSD2CTSLCTSBCTSSPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346597-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEONE MEDICINES I GMBH (CH) 2025-11-13 US disclosed
US-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 US disclosed
EP-4066896-A1 G9A INHIBITOR RIKEN (JP) 2022-10-05 EP disclosed
US-20220290140-A1 TRANS-CYCLOOCTENE LABELED ANTISENSE OLIGONUCLEOTIDES, RADIO LABELED TETRAZINE AND METHODS BIOGEN MA INC. 2022-09-15 US disclosed
US-20220290140-A1 TRANS-CYCLOOCTENE LABELED ANTISENSE OLIGONUCLEOTIDES, RADIO LABELED TETRAZINE AND METHODS BIOGEN MA INC. 2022-09-15 US disclosed
WO-2021034924-A1 TRANS-CYCLOOCTENE LABELED ANTISENSE OLIGONUCLEOTIDES, RADIO LABELED TETRAZINE AND METHODS BIOGEN MA INC. (US) 2021-02-25 WO disclosed
EP-2822656-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE CANCER RES INST ROYAL (GB) 2016-10-19 EP disclosed
EP-2822656-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE CANCER RES INST ROYAL (GB) 2016-10-19 EP disclosed
US-9193689-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-11-24 US disclosed
US-9193689-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-11-24 US disclosed
WO-2013132253-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2013-09-12 WO disclosed
US-6646124-B2 Gamma-aminobutyric acid (GABA) agonists, antagonists or inverse agonists; treatment of anxiety, Down Syndrome, sleep, cognitive and seizure disorders, and overdose with benzodiazepine drugs NEUROGEN CORPORATION 2003-11-11 US disclosed
US-20020156280-A1 Substituted 4-oxo-napthyridine-3-carboxamides: GABA brain receptor ligands NEUROGEN CORPORATION, CORPORATION OF THE STATE OF DELAWARE 2002-10-24 US disclosed
US-6399604-B1 ANXIETY, DOWN SYNDROME, SLEEP, COGNITIVE AND SEIZURE DISORDERS, AND OVERDOSE WITH BENZODIAZEPINE DRUGS NEUROGEN CORPORATION 2002-06-04 US disclosed
US-6143760-A Substituted 4-oxo-napthyridine-3-carboxamides: GABA brain receptor ligands NEUROGEN CORPORATION (US) 2000-11-07 US disclosed
US-6114390-A AN ARGININAMIDE OR ORNITHINAMIDE COMPOUND AS TREATING MEMORY LOSS, MIGRAINE, SLEEP DISORDERS, PAIN, CARDIOVASCULAR DISEASES, SUBARACHNOIDAL BLEEDING, VASCULAR-HYPERTROPHIC CHANGES, CEREBRAL AND CORONARY VASOSPASMS KARL THOMAE GMBH (DE) 2000-09-05 US disclosed
EP-1007526-A1 SUBSTITUTED 4-OXO-NAPTHYRIDINE-3-CARBOXAMIDES AS GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2000-06-14 EP disclosed
WO-1999010347-A1 SUBSTITUTED 4-OXO-NAPTHYRIDINE-3-CARBOXAMIDES AS GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1999-03-04 WO disclosed
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 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 (4 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-20020156280-A1 Substituted 4-oxo-napthyridine-3-carboxamides: GABA brain receptor ligands GABRA4, GABRA1, GABRA2 NSD2 983/4885CTSL 3809/4885CTSB 4215/4885
US-20230127046-A1 G9a INHIBITOR EZH2, BMI1, DOT1L NSD2 57/4885CTSL 4707/4885CTSB 4560/4885
US-20220290140-A1 TRANS-CYCLOOCTENE LABELED ANTISENSE OLIGONUCLEOTIDES, RADIO LABELED TETRAZINE AND METHODS TK1, TTR, TALDO1 NSD2 4648/4885CTSL 2050/4885CTSB 1526/4885
US-20250346597-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES DGKG, DGKA, DGKK NSD2 1273/4885CTSL 2525/4885CTSB 1502/4885

“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.