SCHEMBL31540

SCHEMBL31540

C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NR1H2 P55055 1/20 0.45
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX1 P07099 1/20 0.42
BIRC2 Q13490 1/20 0.42
PREP P48147 2/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 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
SCHEMBL2898103 1.00 HPGD (0.48) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL23779404 0.95 HPGD (0.50) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL23779406 0.95 HPGD (0.50) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL28002373 0.90 HPGD (0.48) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL16018 0.90 NR1H2 (0.47) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL16843 0.90 NR1H2 (0.47) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL105348 0.90 NR1H2 (0.47) HPGDMEN1KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL25337897 0.89 NR1H2 (0.46) HPGDMEN1KMT2AMAPTALDH1A1
Piperazine SCHEMBL28853588 0.87 NR1H2 (0.45) HPGDMEN1KMT2AMAPTALDH1A1
Urea SCHEMBL4467391 0.86 NR1H2 (0.44) HPGDMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118580192-A Preparation method of chiral intermediate of drug for treating ocular hypertension 安徽峆一药业股份有限公司 2024-09-03 CN claimed
CN-111909088-B Method for preparing isoquinoline hydrochloride intermediate and Rho kinase inhibitor by using BTC/Ph3PO chloro-system 浙江工业大学 2022-03-01 CN claimed
CN-111909088-A Utilizing BTC/Ph3Method for preparing isoquinoline hydrochloride intermediate and Rho kinase inhibitor by PO chloro system 浙江工业大学 2020-11-10 CN claimed
WO-2026106389-A1 NMT INHIBITOR AND USE THEREOF 주식회사 이노보테라퓨틱스 2026-05-21 WO disclosed
WO-2026085629-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2026-04-30 WO disclosed
EP-4720678-A1 SURVIVIN AS A BIOMARKER FOR PREDICTING THE RESPONSIVENESS OF CANCER TREATMENT Boehringer Ingelheim International GmbH (DE) 2026-04-08 EP disclosed
WO-2025217552-A1 2-(TERT-BUTYL)-4-METHYLPHENYL APPENDED 1,4-DIAZEPANE BASED NOVEL TFEB ACTIVATING COMPOUNDS AS AUTOPHAGY MODULATORS FOR NEURODEGENERATIVE DISORDERS INCLUDING ALZHEIMER'S DISEASE (AD) MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2025-10-16 WO disclosed
US-20250313553-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTL GMBH CORP (DE) 2025-10-09 US disclosed
CN-118580192-B Preparation method of chiral intermediate of drug for treating ocular hypertension 安徽峆一药业股份有限公司 2025-09-19 CN disclosed
US-20250145608-A1 KRAS DEGRADING COMPOUNDS COMPRISING ANNULATED 2-AMINO-3-CYANO THIOPHENES BOEHRINGER INGELHEIM INTL GMBH CORP (DE) 2025-05-08 US disclosed
US-20250129096-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTL GMBH CORP (DE) 2025-04-24 US disclosed
EP-2610252-A1 NOVEL PRODUCTION METHOD FOR ISOQUINOLINE DERIVATIVES AND SALTS THEREOF Kowa Co., Ltd. (JP) 2013-07-03 EP disclosed
EP-2610252-A1 NOVEL PRODUCTION METHOD FOR ISOQUINOLINE DERIVATIVES AND SALTS THEREOF Kowa Co., Ltd. (JP) 2013-07-03 EP disclosed
US-20130144054-A1 NOVEL PRODUCTION METHOD FOR ISOQUINOLINE DERIVATIVES AND SALTS THEREOF KOWA CO., LTD. (JP) 2013-06-06 US disclosed
US-20130144054-A1 NOVEL PRODUCTION METHOD FOR ISOQUINOLINE DERIVATIVES AND SALTS THEREOF KOWA CO., LTD. (JP) 2013-06-06 US disclosed
WO-2012026529-A1 NOVEL PRODUCTION METHOD FOR ISOQUINOLINE DERIVATIVES AND SALTS THEREOF 興和株式会社 (JP) 2012-03-01 WO disclosed
EP-2049529-B1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-08-11 EP disclosed
US-20090192143-A1 Substituted diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. 2009-07-30 US disclosed
US-20090192143-A1 Substituted diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. 2009-07-30 US disclosed
US-20090192143-A1 Substituted diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. 2009-07-30 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-20130144054-A1 NOVEL PRODUCTION METHOD FOR ISOQUINOLINE DERIVATIVES AND SALTS THEREOF NOS2, NOS3, NOS1 HPGD 135/4885MEN1 2569/4885KMT2A 4399/4885
US-20250313553-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER KRAS, NRAS, TP53 HPGD 3412/4885MEN1 792/4885KMT2A 866/4885
US-20090192143-A1 Substituted diazepan orexin receptor antagonists HCRTR2, HCRTR1, CRHR1 HPGD 945/4885MEN1 1250/4885KMT2A 790/4885
US-20250129096-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER KRAS, NRAS, TP53 HPGD 3594/4885MEN1 714/4885KMT2A 1049/4885
US-20250145608-A1 KRAS DEGRADING COMPOUNDS COMPRISING ANNULATED 2-AMINO-3-CYANO THIOPHENES KRAS, NRAS, TP53 HPGD 627/4885MEN1 1348/4885KMT2A 1916/4885

“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.