SCHEMBL3745815

SCHEMBL3745815

CC(C)(C)OC(=O)N1CCC(Nc2ccccc2N)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.57
NPC1 O15118 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
RAB9A P51151 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GPR119 Q8TDV5 2/20 0.52
BRD4 O60885 1/20 0.51
HDAC1 Q13547 1/20 0.51
KDM4E B2RXH2 2/20 0.50
PKM P14618 1/20 0.50
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
EPHX1 P07099 1/20 0.49
BTK Q06187 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
ADORA2A P29274 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
SCHEMBL28580589 0.93 USP30 (0.53) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL18928571 0.93 USP30 (0.53) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL16657348 0.87 HDAC1 (0.47) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL70137 0.86 ALDH1A1 (0.59) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL12069062 0.86 ALDH1A1 (0.59) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL2606333 0.86 ALDH1A1 (0.59) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL740231 0.86 USP30 (0.55) ALDH1A1MAPTBRD4HDAC1KDM4E
SCHEMBL1198309 0.86 CCNA2 (0.55) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL30006703 0.86 CCNA2 (0.55) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL740230 0.86 USP30 (0.55) ALDH1A1MAPTBRD4HDAC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132188-B1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLEDINEDIONE AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-14 EP claimed
WO-2023244764-A1 COMPOUNDS FOR THE TARGETED DEGRADATION OF SMARCA2 C4 THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed
WO-2023229375-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF 주식회사 엘지화학 2023-11-30 WO disclosed
WO-2023019166-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS CALICO LIFE SCIENCES LLC (US) 2023-02-16 WO disclosed
CN-113924296-A 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same 株式会社钟根堂 2022-01-11 CN disclosed
WO-2020240492-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-12-03 WO disclosed
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 CN disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
EP-3328859-B1 3-((4-ISOQUINOLIN-3-YL)METHYL)-1H-IMIDAZO[4,5-C]PYRIDIN-2(3H)-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) BOEHRINGER INGELHEIM INT (DE) 2020-06-03 EP disclosed
EP-1997818-A2 Quinolinone derivatives and their use to treat pain EURO-CELTIQUE S.A. (LU) 2008-12-03 EP disclosed
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 EP disclosed
US-20080096861-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 US disclosed
US-7247725-B2 Gamma-aminoamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-07-24 US disclosed
WO-2007039462-A2 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20050261325-A1 Especially N-(3-carbonylamino3-substituted-propyl)spiro(indene- or indane-2,4'-piperidine derivatives, useful in treatment of inflammatory and immunoregulatory disorders, allergic diseases, atopic conditions, autoimmune disorders and atherosclerosis MERCK SHARP & DOHME CORP. 2005-11-24 US disclosed
EP-0029707-B1 NOVEL PIPERIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1984-02-01 EP disclosed
EP-0092391-A2 Novel piperidine derivatives and pharmaceutical compositions containing same KYOWA HAKKO KOGYO CO., LTD (JP) 1983-10-26 EP disclosed
US-4410528-A Hypotensive piperidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1983-10-18 US disclosed
EP-0029707-A1 Novel piperidine derivatives, method for the preparation thereof and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD (JP) 1981-06-03 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-20050261325-A1 Especially N-(3-carbonylamino3-substituted-propyl)spiro(indene- or indane-2,4'-piperidine derivatives, useful in treatment of inflammatory and immunoregulatory disorders, allergic diseases, atopic conditions, autoimmune disorders and atherosclerosis CCR1, CCR3, CCR2 ALDH1A1 1345/4885MAPT 4595/4885NPC1 636/4885
US-20080096861-A1 Chemical Compounds CCR5, CXCR4, CXCR3 ALDH1A1 2253/4885MAPT 3251/4885NPC1 243/4885

“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.