SCHEMBL156256

SCHEMBL156256

CC(=O)N1CCCc2cc(C)ccc21

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.82
KDM4E B2RXH2 1/20 0.71
ALDH1A1 P00352 7/20 0.64
NPSR1 Q6W5P4 1/20 0.64
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
MAPT P10636 1/20 0.62
TSHR P16473 3/20 0.61
HTT P42858 2/20 0.61
PDK1 Q15118 1/20 0.61
PDK2 Q15119 1/20 0.61
PDK3 Q15120 1/20 0.61
PDK4 Q16654 1/20 0.61
POLB P06746 1/20 0.60
LMNA P02545 1/20 0.59
TP53 P04637 2/20 0.59
GAA P10253 1/20 0.59

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
SCHEMBL423295 0.90 NOTUM (1.00) NOTUMKDM4EALDH1A1MEN1KMT2A
SCHEMBL4026091 0.87 KDM4E (0.71) NOTUMKDM4EALDH1A1NPSR1MEN1
SCHEMBL12559522 0.87 NOTUM (0.64) NOTUMKDM4EALDH1A1NPSR1MEN1
SCHEMBL9392589 0.86 KDM4E (0.69) NOTUMKDM4EALDH1A1NPSR1MEN1
SCHEMBL23752365 0.86 KDM4E (0.69) NOTUMKDM4EALDH1A1NPSR1MEN1
SCHEMBL6721657 0.84 NOTUM (0.64) NOTUMALDH1A1TSHRPDK1PDK2
SCHEMBL13524325 0.83 KDM4E (0.66) NOTUMKDM4EALDH1A1NPSR1MEN1
SCHEMBL13525164 0.83 KDM4E (0.66) NOTUMKDM4EALDH1A1NPSR1MEN1
SCHEMBL6127792 0.83 KDM4E (0.66) NOTUMKDM4EALDH1A1NPSR1MEN1
SCHEMBL26763833 0.83 KDM4E (0.66) NOTUMKDM4EALDH1A1NPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023196512-A1 PROPARGYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THAT MODULATE BRD4 Plexium, Inc. (US) 2023-10-12 WO disclosed
WO-2023083343-A1 POLYCYCLIC COMPOUNDS AND METHODS THEREOF HEPAITECH (BEIJING) BIOPHARMA TECHNOLOGY CO., LTD. (CN) 2023-05-19 WO disclosed
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 US disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
WO-2021226276-A2 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-11-11 WO disclosed
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO EARLY DISCOVERY, INC. 2021-10-21 US disclosed
US-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-22 US disclosed
WO-2020156162-A1 MEK INHIBITOR AND PHARMACEUTICAL USE THEREOF 贝达药业股份有限公司 2020-08-06 WO disclosed
US-20200237755-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-07-30 US disclosed
US-RE48059-E1 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-06-23 US disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20100179322-A1 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-07-15 US disclosed
US-20100179322-A1 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-07-15 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 US disclosed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 US disclosed
WO-2007058602-A2 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER’S DISEASE, NEURODEGENERATION AND DEMENTIA. ASTRAZENECA AB (SE) 2007-05-24 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 (9 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-20100179322-A1 Piperazine-substituted benzothiophenes for treatment of mental disorders GRIN2C, TPH1, HTR2C NOTUM 4005/4885KDM4E 1553/4885ALDH1A1 418/4885
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C NOTUM 4762/4885KDM4E 3044/4885ALDH1A1 1739/4885
US-20200237755-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C NOTUM 4005/4885KDM4E 1553/4885ALDH1A1 418/4885
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same CNR1, CNR2, OPRD1 NOTUM 803/4885KDM4E 535/4885ALDH1A1 2888/4885
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 NOTUM 1080/4885KDM4E 403/4885ALDH1A1 2167/4885
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS USP28, USP25, USP24 NOTUM 1080/4885KDM4E 403/4885ALDH1A1 2167/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 NOTUM 2892/4885KDM4E 3919/4885ALDH1A1 2458/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 NOTUM 2892/4885KDM4E 3919/4885ALDH1A1 2458/4885
US-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C NOTUM 4005/4885KDM4E 1553/4885ALDH1A1 418/4885

“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.