SCHEMBL63894

SCHEMBL63894

COC(=O)c1ccc(C2CCN(C)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
KDM1A O60341 2/20 0.53
MAOA P21397 2/20 0.53
KDM1B Q8NB78 2/20 0.53
RCOR1 Q9UKL0 2/20 0.53
TSHR P16473 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HPGD P15428 2/20 0.51
SCN1A P35498 2/20 0.51
SCN2A Q99250 2/20 0.51

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
SCHEMBL13267179 0.86 ALDH1A1 (0.55) HDAC3HDAC1HDAC11HDAC8HDAC6
SCHEMBL15178478 0.86 HSD17B10 (0.50) TSHRHSD17B10HPGDALDH1A1KDM4E
SCHEMBL64063 0.84 KDM4E (0.56) TSHRHSD17B10HPGDALDH1A1KDM4E
SCHEMBL4652204 0.84 DRD2 (0.63) HPGDALDH1A1KDM4ELMNA
SCHEMBL25004299 0.83 HSD17B10 (0.54) TSHRHSD17B10HPGDALDH1A1KDM4E
SCHEMBL30720642 0.83 SMN1; SMN2 (0.53) HDAC1HDAC8HDAC6TSHRHSD17B10
SCHEMBL27267183 0.83 SMN1; SMN2 (0.53) HDAC1HDAC8HDAC6TSHRHSD17B10
SCHEMBL63749 0.83 KDM4E (0.51) TSHRHSD17B10HPGDALDH1A1KDM4E
SCHEMBL4653289 0.83 HRH3 (0.51) TSHRHSD17B10HPGDALDH1A1KDM4E
SCHEMBL4735683 0.83 ALDH1A1 (0.48) TSHRHSD17B10HPGDALDH1A1KDM4E

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
WO-2023191400-A1 ETHYL PIPERIDINE TRIAZOLO TRIAZINE DERIVATIVES, SYNTHESIS METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME FOR PREVENTION OR TREATMENT OF CANCER 에이치케이이노엔 주식회사 2023-10-05 WO disclosed
US-11485745-B2 Amido spirocyclic amide and sulfonamide derivatives VALO HEALTH, INC. (US) 2022-11-01 US disclosed
US-20220041559-A1 BENZO-AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2022-02-10 US disclosed
US-20210171545-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES VALO HEALTH, INC. 2021-06-10 US disclosed
WO-2021076886-A1 3-PHENYLSULPHONYL-QUINOLINE DERIVATIVES AS AGENTS FOR TREATING PATHOGENIC BLOOD VESSELS DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-04-22 WO disclosed
EP-3725777-A1 BENZO- AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS Rottapharm Biotech S.r.l. (IT) 2020-10-21 EP disclosed
CN-104520290-B Amido spirocyclic amide and sulfonamide derivatives 基因科技股份有限公司 2020-10-09 CN disclosed
US-10730889-B2 Amido spirocyclic amide and sulfonamide derivatives FORMA TM, LLC (US) 2020-08-04 US disclosed
WO-2019196918-A1 FIVE-MEMBERED HETEROCYCLO-PYRIMIDINE COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 罗欣药业(上海)有限公司 2019-10-17 WO disclosed
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20070191392-A1 DIPEPTIDE NITRILE CATHESPIN K INHIBITORS NORVARTIS AG (CH) 2007-08-16 US disclosed
US-20050267129-A1 Dipeptide nitrile cathepsin K inhibitors NORVARTIS AG (CH) 2005-12-01 US disclosed
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 US disclosed
US-6642239-B2 Compounds such as N-(1-(cyanomethylcarbamoyl)cyclohexyl)-4-(piperazin-1-yl)-benzamide NOVARTIS AG (CH) 2003-11-04 US disclosed
US-20030203919-A1 Dipeptide nitrile cathepsin K inhibitors MISSBACH MARTIN (CH) 2003-10-30 US disclosed
EP-1254124-A1 DIPEPTIDE NITRILE CATHPSIN K INHIBITORS Novartis AG (CH) 2002-11-06 EP disclosed
US-20010016207-A1 Dipeptide nitrile cathepsin K inhibitors NOVARTIS AG (CH) 2001-08-23 US disclosed
WO-2001058886-A1 DIPEPTIDE NITRILE CATHEPSIN K INHIBITORS NOVARTIS AG (CH) 2001-08-16 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 (11 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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R HDAC3 898/4885HDAC4 1878/4885HDAC1 2047/4885
US-20210171545-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES STS, AADAC, SULT2A1 HDAC3 33/4885HDAC4 102/4885HDAC1 121/4885
US-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 HDAC3 1096/4885HDAC4 788/4885HDAC1 153/4885
US-20030203919-A1 Dipeptide nitrile cathepsin K inhibitors CTSK, CTSC, CTSS HDAC3 1169/4885HDAC4 2027/4885HDAC1 658/4885
US-11485745-B2 Amido spirocyclic amide and sulfonamide derivatives STS, AADAC, SULT2A1 HDAC3 33/4885HDAC4 102/4885HDAC1 121/4885
US-20050267129-A1 Dipeptide nitrile cathepsin K inhibitors CTSK, CTSL, CTSV HDAC3 1852/4885HDAC4 1779/4885HDAC1 973/4885
US-20220041559-A1 BENZO-AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS PDXK, MAP4K2, PLK2 HDAC3 505/4885HDAC4 845/4885HDAC1 503/4885
US-20010016207-A1 Dipeptide nitrile cathepsin K inhibitors CTSK, CTSC, CTSS HDAC3 1169/4885HDAC4 2027/4885HDAC1 658/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HDAC3 16/4885HDAC4 14/4885HDAC1 1/4885
US-20070191392-A1 DIPEPTIDE NITRILE CATHESPIN K INHIBITORS CTSL, CTSK, CTSC HDAC3 2146/4885HDAC4 2670/4885HDAC1 1573/4885
US-10730889-B2 Amido spirocyclic amide and sulfonamide derivatives STS, AADAC, SULT2A1 HDAC3 33/4885HDAC4 102/4885HDAC1 121/4885

“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.