SCHEMBL7027655

SCHEMBL7027655

CC(C)(C)C1CCNC(=O)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSP90AA1 P07900 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OR51E2 Q9H255 1/20 0.31
CRBN Q96SW2 3/20 0.31
ALDH2 P05091 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
PKM P14618 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
SCHEMBL3196204 0.88 OR51E2 (0.38) TP53HPGDHSD17B10NPC1RAB9A
SCHEMBL24111111 0.83 TACR1 (0.32) OPRL1
SCHEMBL31149772 0.83 CES2 (0.33)
SCHEMBL1223574 0.81 CRBN (0.40) TP53HPGDHSD17B10NPC1RAB9A
SCHEMBL25324227 0.78 NOS3 (0.35) OR51E2CRBNOPRL1FKBP5
SCHEMBL23745425 0.77 CCR2 (0.35)
SCHEMBL14592820 0.77 ALDH1A1 (0.34) NPC1RAB9AALDH1A1MAPTNPSR1
SCHEMBL8931418 0.77 ALDH1A1 (0.34) NPC1RAB9AALDH1A1MAPTNPSR1
SCHEMBL14592897 0.77 ALDH1A1 (0.34) NPC1RAB9AALDH1A1MAPTNPSR1
SCHEMBL7029329 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327383-A1 PIPERIDINE DERIVATIVE, AND PHARMACEUTIAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF Yichang Humanwell Pharmaceutical Co., Ltd. (CN) 2024-10-03 US disclosed
CN-115611856-B Piperidine derivative and pharmaceutical composition, preparation method and application thereof 宜昌人福药业有限责任公司 2024-07-05 CN disclosed
EP-4345096-A1 PIPERIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF Yichang Humanwell Pharmaceutical Co., Ltd. (CN) 2024-04-03 EP disclosed
CN-117642389-A Piperidine derivative and pharmaceutical composition, preparation method and application thereof 宜昌人福药业有限责任公司 2024-03-01 CN disclosed
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 US disclosed
US-20230026611-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-01-26 US disclosed
CN-115611856-A Piperidine derivative and pharmaceutical composition, preparation method and application thereof 宜昌人福药业有限责任公司 2023-01-17 CN disclosed
US-20220000874-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-01-06 US disclosed
US-11136321-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
US-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-08-12 US disclosed
US-8106078-B2 Human protein tyrosine phosphatase inhibitors and methods of use WARNER CHILCOTT COMPANY, LLC (US) 2012-01-31 US disclosed
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2011-09-01 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-7795444-B2 Human protein tyrosine phosphatase inhibitors and methods of use Warner Chilcott Company (US) 2010-09-14 US disclosed
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-04-29 US disclosed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 US disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 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 (12 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-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP TP53 91/4885HPGD 2825/4885HSD17B10 3457/4885
US-20240327383-A1 PIPERIDINE DERIVATIVE, AND PHARMACEUTIAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF OPRL1, OPRD1, OPRM1 TP53 4669/4885HPGD 2128/4885HSD17B10 4209/4885
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C TP53 545/4885HPGD 2697/4885HSD17B10 2348/4885
US-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF FDPS, FPR1, F12 TP53 3651/4885HPGD 150/4885HSD17B10 2612/4885
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO TP53 1213/4885HPGD 180/4885HSD17B10 2995/4885
US-20220000874-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL TP53 1710/4885HPGD 1777/4885HSD17B10 200/4885
US-20230026611-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNA3, KCNH2, KCNJ2 TP53 3700/4885HPGD 2935/4885HSD17B10 1230/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 TP53 39/4885HPGD 223/4885HSD17B10 863/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL TP53 1710/4885HPGD 1777/4885HSD17B10 200/4885
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS MC4R, MC5R, MC2R TP53 3114/4885HPGD 1882/4885HSD17B10 4077/4885
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNH3 TP53 4230/4885HPGD 2590/4885HSD17B10 715/4885
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use PTPRCAP, PTPRC, PPP5C TP53 545/4885HPGD 2697/4885HSD17B10 2348/4885

“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.