SCHEMBL496468

SCHEMBL496468

COC(=O)C(=O)C(Cl)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
TSHR P16473 3/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SRC P12931 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 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
SCHEMBL11361195 0.87 KMT2A (0.40) KMT2ATSHRPTGS1PTGS2HDAC4
SCHEMBL1968557 0.83 TDP1 (0.42) KMT2AHPGDLMNA
SCHEMBL497246 0.83 BRD4 (0.43) HPGDCYP2D6HDAC4HDAC7HDAC5
SCHEMBL268626 0.83 TDP1 (0.42) KMT2AHPGDLMNA
SCHEMBL27533616 0.81 KMT2A (0.47) KMT2ATSHRPTGS1PTGS2HPGD
SCHEMBL270922 0.81 HDAC3 (0.42) KMT2ATSHRLMNACYP2D6CYP3A4
SCHEMBL496445 0.81 RAB9A (0.46) KMT2ATSHRPTGS1PTGS2CES2
SCHEMBL923969 0.81 CYP1A2 (0.46) KMT2AHPGDLMNACYP1A2MAPK1
SCHEMBL270288 0.81 CYP2C19 (0.42) LMNACYP2D6CYP3A4MAPK1HSD17B10
SCHEMBL271270 0.81 HPGD (0.41) KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3676261-B1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LTD (GB) 2024-12-18 EP disclosed
CN-111315734-B Substituted 2-azabicyclo [3.1.1] heptane and 2-azabicyclo [3.2.1] octane derivatives as orexin receptor antagonists 克罗诺斯治疗有限公司 2024-03-08 CN disclosed
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists CHRONOS THERAPEUTICS LIMITED (GB) 2023-05-30 US disclosed
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LIMITED (GB) 2022-10-20 US disclosed
EP-3676261-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Chronos Therapeutics Limited (GB) 2020-07-08 EP disclosed
CN-111315734-A Substituted 2-azabicyclo [3.1.1] heptane and 2-azabicyclo [3.2.1] octane derivatives as orexin receptor antagonists 克罗诺斯治疗有限公司 2020-06-19 CN disclosed
WO-2019043407-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LIMITED (GB) 2019-03-07 WO disclosed
US-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2018-05-10 US disclosed
US-9833455-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors SPACEFILL ENTERPRISES LLC (US) 2017-12-05 US disclosed
EP-2318367-B1 PIPERIDINE AND PYRROLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-03-20 EP disclosed
WO-2009022311-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-19 WO disclosed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 WO disclosed
WO-2009016564-A2 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 WO disclosed
WO-2009004584-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-01-08 WO disclosed
WO-2008139416-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-11-20 WO disclosed
WO-2008117241-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-02 WO disclosed
WO-2008081399-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-07-10 WO disclosed
US-4298375-A REDUCTION OF HERBICIDAL INJURY TO SORGHUM PLANTS MONSANTO COMPANY (US) 1981-11-03 US disclosed
US-4275200-A CONDENSATION OF CARBAMIC ESTERS WITH X-HALOGEN CARBONYL COMPOUNDS AGFA-GEVAERT, A.G. (DE) 1981-06-23 US disclosed
US-4059447-A Photographic material containing oxazolinone-2 couplers AGFA-GEVAERT AKTIENGESELLSCHAFT (DT) 1977-11-22 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 (3 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-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 KMT2A 720/4885TSHR 1513/4885PTGS1 4293/4885
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R KMT2A 1082/4885TSHR 158/4885PTGS1 3099/4885
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists HCRTR2, HCRTR1, NPY1R KMT2A 1082/4885TSHR 158/4885PTGS1 3099/4885

“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.