SCHEMBL761685

SCHEMBL761685

CN1C(=O)CC(C)(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
BACE1 P56817 5/20 0.34
AR P10275 1/20 0.34
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 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
SCHEMBL761451 0.75 CYP19A1 (0.41) CYP19A1LMNACHRM2CHRM3RAB9A
SCHEMBL14806787 0.75 CYP19A1 (0.35) CYP19A1BACE1
SCHEMBL16177445 0.74 AR (0.34) ARRAB9ASMN1; SMN2
SCHEMBL12600976 0.73 CHRM2 (0.52) CYP19A1LMNACHRM2CHRM3AR
SCHEMBL761687 0.72 MEN1 (0.39) CYP19A1BACE1MEN1KMT2A
SCHEMBL838931 0.72 LMNA (0.39) CYP19A1LMNARAB9ASMN1; SMN2MEN1
SCHEMBL2235681 0.72 AR (0.33) ARRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17471625 0.72 TSHR (0.42) CYP19A1LMNACHRM2CHRM3BACE1
SCHEMBL8283007 0.70 CHRM2 (0.41) CYP19A1CHRM2CHRM3ARMEN1
SCHEMBL24862934 0.69 CYP19A1 (0.42) CYP19A1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356370-B1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS INC (US) 2021-08-18 EP disclosed
US-10981900-B2 Spiro compound and use thereof MEDSHINE DISCOVERY INC. (CN) 2021-04-20 US disclosed
US-20200048235-A1 SPIRO COMPOUND AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-02-13 US disclosed
US-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS WUXI APPTEC (CN) 2017-08-03 US disclosed
US-9566312-B2 Cyclic peptides and use as medicines NOVARTIS AG (CH) 2017-02-14 US disclosed
US-20150306172-A1 CYCLIC PEPTIDES AND USE AS MEDICINES NOVARTIS AG (CH) 2015-10-29 US disclosed
US-9072696-B2 Cyclic peptides and use as medicines NOVARTIS AG (CH) 2015-07-07 US disclosed
US-20150041052-A1 WAVELENGTH CONVERSION LAYER ON A GLASS PLATE TO ENHANCE SOLAR HARVESTING EFFICIENCY NITTO DENKO CORPORATION (JP) 2015-02-12 US disclosed
US-20140134132-A1 CYCLIC PEPTIDES AND USE AS MEDICINES NOVARTIS AG (CH) 2014-05-15 US disclosed
US-20140073611-A1 METHODS FOR DRUG SCREEN USING ZEBRAFISH MODEL AND THE COMPOUNDS SCREENED THEREFROM NATIONAL TAIWAN UNIVERSITY (TW) 2014-03-13 US disclosed
EP-1740578-B1 4- 2- (CYCLOALKYLAMINO) PYRIMIDIN-4-YL ] - (PHENYL) - IMIDAZOLIN-2- ONE DERIVATIVES AS P38 MAP- KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES MITSUBISHI TANABE PHARMA CORP (JP) 2010-12-15 EP disclosed
US-7700771-B2 Heterocyclic compound which may be used as a medicine having p38 MAP kinase inhibitory activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-04-20 US disclosed
US-7700771-B2 Heterocyclic compound which may be used as a medicine having p38 MAP kinase inhibitory activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-04-20 US disclosed
US-20100087442-A1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD (JP) 2010-04-08 US disclosed
US-20100087442-A1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD (JP) 2010-04-08 US disclosed
US-7655804-B2 N-[(1S)-3-{(2Z)-2-[(4R)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazino}-2,3-dioxo-1-(tetrahydro-2H-pyran-4-yl)propyl]cycloheptanecarboxamide; cysteine protease inhibitors; for the treatment of inflammatory, immune, ischemic, respiratory,circulatory, neuronal, blood, hepatic and metabolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2010-02-02 US disclosed
US-7655804-B2 N-[(1S)-3-{(2Z)-2-[(4R)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazino}-2,3-dioxo-1-(tetrahydro-2H-pyran-4-yl)propyl]cycloheptanecarboxamide; cysteine protease inhibitors; for the treatment of inflammatory, immune, ischemic, respiratory,circulatory, neuronal, blood, hepatic and metabolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2010-02-02 US disclosed
US-20070185326-A1 antiinflammatory agents; antiarthritic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 US disclosed
US-20070185326-A1 antiinflammatory agents; antiarthritic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 US disclosed
US-7196085-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2007-03-27 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 (8 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-20200048235-A1 SPIRO COMPOUND AND USE THEREOF S1PR1, S1PR2, S1PR3 CYP19A1 1178/4885LMNA 2331/4885CHRM2 1563/4885
US-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS TOP1, NQO2, TOP2A CYP19A1 391/4885LMNA 1693/4885CHRM2 4694/4885
US-20100087442-A1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT SERPINB1, CTSZ, ELANE CYP19A1 1998/4885LMNA 4036/4885CHRM2 3064/4885
US-20140073611-A1 METHODS FOR DRUG SCREEN USING ZEBRAFISH MODEL AND THE COMPOUNDS SCREENED THEREFROM PLOD3, MYOC, SLTM CYP19A1 4720/4885LMNA 72/4885CHRM2 1996/4885
US-10981900-B2 Spiro compound and use thereof S1PR1, S1PR2, S1PR3 CYP19A1 1178/4885LMNA 2331/4885CHRM2 1563/4885
US-20140134132-A1 CYCLIC PEPTIDES AND USE AS MEDICINES PPIF, VIP, FKBP1B CYP19A1 1018/4885LMNA 2696/4885CHRM2 655/4885
US-20150306172-A1 CYCLIC PEPTIDES AND USE AS MEDICINES PPIF, VIP, MAVS CYP19A1 1303/4885LMNA 2491/4885CHRM2 480/4885
US-20070185326-A1 antiinflammatory agents; antiarthritic agents MAPK1, CHUK, MAPK3 CYP19A1 3359/4885LMNA 4585/4885CHRM2 2306/4885

“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.