SCHEMBL2280397

SCHEMBL2280397

CC(C)(C)OC(=O)N1CCC(Cc2cccnc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.61
NAMPT P43490 1/20 0.55
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
KDM1A O60341 1/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
SPR P35270 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
GRIN2B Q13224 1/20 0.48
STS P08842 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48

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
SCHEMBL23791367 0.93 GPR119 (0.59) GPR119NAMPTKDM4EPKMLMNA
SCHEMBL18714672 0.93 GPR119 (0.59) GPR119NAMPTKDM4EPKMLMNA
SCHEMBL4325703 0.87 GPR119 (0.58) GPR119NAMPTKDM4EPKMKDM1A
SCHEMBL8702720 0.86 NAMPT (0.61) GPR119NAMPTKDM4EPKMLMNA
SCHEMBL2185875 0.85 GPR119 (0.56) GPR119NAMPTKDM4EPKMKDM1A
SCHEMBL4036422 0.85 GPR119 (0.54) GPR119KDM4EPKMLMNATP53
SCHEMBL3923737 0.85 KDM4E (0.64) GPR119KDM4EPKMLMNATP53
SCHEMBL22317619 0.84 CYP3A4 (0.52) MAPTSPRCYP3A4CYP2C9
SCHEMBL5777274 0.84 NAMPT (0.61) GPR119NAMPTKDM4EPKMLMNA
SCHEMBL19658651 0.83 SPR (0.55) PKMSPRCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023046055-A1 SUBSTITUTED HETEROCYCLIC COMPOUND CONTAINING α-KETONE FRAMEWORK, AND USE THEREOF 中国药科大学 2023-03-30 WO disclosed
US-9902712-B2 Nitrogenous heterocyclic derivatives and their application in drugs SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-02-27 US disclosed
EP-3083584-B1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN THE TREATMENT OF TISSUE FIBROSIS SUNSHINE LAKE PHARMA CO LTD (CN) 2018-02-21 EP disclosed
CN-104725356-B Nitrogen heterocyclic derivatives and application thereof in medicine 广东东阳光药业有限公司 2017-02-22 CN disclosed
US-20160355501-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-12-08 US disclosed
EP-3083584-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS Sunshine Lake Pharma Co., Ltd. (CN) 2016-10-26 EP disclosed
EP-2358202-B1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-06-15 EP disclosed
EP-2358202-B1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-06-15 EP disclosed
WO-2015090232-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-06-25 WO disclosed
CN-104725356-A Nitrogen heterocyclic derivatives and application thereof in medicine GUANGDONG HEC PHARMACEUTICAL 2015-06-24 CN disclosed
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists TOBIRA THERAPEUTICS, INC. 2003-06-19 US disclosed
US-6562978-B1 N-(3-(4-(4-(Aminocarbonyl)benzyl)-1-piperidinyl)propyl)-N-(3, 4-dichlorophenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide or a salt thereof for treatment of AIDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-13 US disclosed
CN-1390201-A cyclic amine compounds as CCR5 antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 CN disclosed
EP-1220842-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-10 EP disclosed
WO-2001025200-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-12 WO disclosed
US-5719166-A TREATING PSYCHOSES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-02-17 US disclosed
EP-0532177-B1 Methanoanthracenes as dopamine antagonists ZENECA LTD (GB) 1996-10-16 EP disclosed
US-5550136-A ANTAGONISTS OF DOPAMINE D-2 RECEPTORS ZENECA LIMITED (GB) 1996-08-27 US disclosed
US-5399568-A Dopamine antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-03-21 US disclosed
EP-0532177-A1 Methanoanthracenes as dopamine antagonists ZENECA LIMITED (GB) 1993-03-17 EP 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 (2 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-20030114443-A1 Cyclic amine compounds as CCR5 antagonists CCR5, CCR1, CCR3 GPR119 447/4885NAMPT 3332/4885KDM4E 2791/4885
US-20160355501-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS TNNC1, IAPP, TNNI3 GPR119 331/4885NAMPT 224/4885KDM4E 4225/4885

“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.