SCHEMBL624078

SCHEMBL624078

CC(C)(C)N1CCC(CO)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.33
BRD4 O60885 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
PKM P14618 1/20 0.31
ATM Q13315 1/20 0.31
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30

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
SCHEMBL1700787 1.00 NR1H2 (0.33) NR1H2BRD4CYP3A4CYP2C19PKM
SCHEMBL1700411 1.00 NR1H2 (0.33) NR1H2BRD4CYP3A4CYP2C19PKM
SCHEMBL1029299 0.88 PKM (0.38) CYP3A4CYP2C19PKM
SCHEMBL13213232 0.88 PKM (0.38) CYP3A4CYP2C19PKM
SCHEMBL624534 0.88 PKM (0.38) CYP3A4CYP2C19PKM
SCHEMBL159232 0.86 HTT (0.31) NR1H2
SCHEMBL21904714 0.83 BRD4 (0.35) BRD4
SCHEMBL16993544 0.83 BRD4 (0.35) BRD4
SCHEMBL1972563 0.81 ATM (0.39) NR1H2BRD4ATM
SCHEMBL25144024 0.80 HTT (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023205595-A2 EGFR INHIBITORS IN CANCER TREATMENT CELYN THERAPEUTICS, INC (US) 2023-10-26 WO disclosed
EP-4255573-A1 SUBSTITUTED THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2023-10-11 EP disclosed
US-20230167099-A1 NEW PYRAZINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-01 US disclosed
US-20230167099-A1 NEW PYRAZINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-01 US disclosed
WO-2023088291-A1 AROMATIC AMINE COMPOUND AND APPLICATION THEREOF 武汉众诚康健生物医药科技有限公司 2023-05-25 WO disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20220220069-A1 COMPOUND USED AS SIRT6 SMALL-MOLECULE ALLOSTERIC ACTIVATOR AND PHARMACEUTICAL COMPOSITION THEREOF SHANGHAI JIAOTONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2022-07-14 US disclosed
WO-2022118210-A1 SUBSTITUTED THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2022-06-09 WO disclosed
US-11053238-B2 Benzimidazole derivatives, preparation methods and uses thereof BETTA PHARMACEUTICALS CO., LTD. (CN) 2021-07-06 US disclosed
WO-2021127328-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
US-8067590-B2 Melanin-concentrating hormone (MCH) receptor antagonists; treating obesity, eating disorders, affective disorders, drug dependency; compounds are amino-functional pyridazin-3-one, 1H-pyridin-2-one or 3H-pyrimidin-4-one BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
EP-2375904-A1 BIARYL CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-10-19 EP disclosed
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
WO-2010077624-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-07-08 WO disclosed
EP-2062050-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH Senomyx, Inc. (US) 2009-05-27 EP disclosed
WO-2008154221-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-18 WO disclosed
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
EP-1622620-A1 QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2006-02-08 EP disclosed
WO-2004096226-A1 QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-11-11 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 (7 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-20220220069-A1 COMPOUND USED AS SIRT6 SMALL-MOLECULE ALLOSTERIC ACTIVATOR AND PHARMACEUTICAL COMPOSITION THEREOF SIRT6, SIRT1, SIRT7 NR1H2 207/4885BRD4 51/4885CYP3A4 3159/4885
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 NR1H2 389/4885BRD4 537/4885CYP3A4 1056/4885
US-20230167099-A1 NEW PYRAZINE COMPOUND EGFR, ERBB2, WEE1 NR1H2 1623/4885BRD4 2198/4885CYP3A4 1105/4885
US-11053238-B2 Benzimidazole derivatives, preparation methods and uses thereof CDK6, CDK4, CDK3 NR1H2 4520/4885BRD4 78/4885CYP3A4 904/4885
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds MCHR1, MCHR2, MC5R NR1H2 842/4885BRD4 454/4885CYP3A4 2304/4885
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 NR1H2 1613/4885BRD4 793/4885CYP3A4 1629/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS NR1H2 1096/4885BRD4 540/4885CYP3A4 4819/4885

“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.