SCHEMBL211627

SCHEMBL211627

CC(C)(C)OC(=O)NCC(=O)N1CC[CH]CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TSHR P16473 2/20 0.58
SIGMAR1 Q99720 3/20 0.54
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
MMP1 P03956 2/20 0.41
MMP13 P45452 2/20 0.41
MMP9 P14780 1/20 0.41
CTSD P07339 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
ADAM17 P78536 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
NPFFR1 Q9GZQ6 1/20 0.37
NPFFR2 Q9Y5X5 1/20 0.37

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
SCHEMBL1329658 0.85 TSHR (0.62) ALDH1A1MEN1KMT2ATSHRSIGMAR1
SCHEMBL2429327 0.85 SIGMAR1 (0.56) ALDH1A1MEN1KMT2ATSHRSIGMAR1
SCHEMBL4472678 0.84 TSHR (0.60) ALDH1A1MEN1KMT2ATSHRSIGMAR1
SCHEMBL27269454 0.83 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ATSHRSIGMAR1
SCHEMBL25313503 0.83 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ATSHRSIGMAR1
SCHEMBL5445038 0.83 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ATSHRSIGMAR1
SCHEMBL28018778 0.83 MEN1 (0.59) ALDH1A1MEN1KMT2ATSHRSIGMAR1
SCHEMBL318106 0.81 MEN1 (0.58) ALDH1A1MEN1KMT2ATSHRSIGMAR1
SCHEMBL4613472 0.81 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATSHRSIGMAR1
SCHEMBL1222794 0.81 MEN1 (0.58) ALDH1A1MEN1KMT2ATSHRSIGMAR1

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-9227967-B2 Inhibitor compounds of semicarbazide-sensitive amine oxidases PROXIMAGEN LIMITED (GB) 2016-01-05 US claimed
US-20130102587-A1 New Enzyme Inhibitor Compounds PROXIMAGEN LIMITED (GB) 2013-04-25 US claimed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US claimed
EP-2547677-A2 INHIBITORS OF SEMICARABAZIDE - SENSITIVE AMINE OXIDASE Proximagen Limited (GB) 2013-01-23 EP claimed
US-8071625-B2 E.g., [(1-(2-aminoacetyl)-4-{N-[(3-fluoro-2-methylphenyl)methyl]carbamoyl}(4-piperidyl))methoxy]-N-(4-ethylphenyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-12-06 US claimed
WO-2011113798-A2 NEW ENZYME INHIBITOR COMPOUNDS PROXIMAGEN LIMITED (GB) 2011-09-22 WO claimed
CN-101821279-A Certain chemical entities, compositions, and methods CYTOKINETICS INC 2010-09-01 CN claimed
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP claimed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US claimed
US-20090264466-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-22 US claimed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO claimed
US-20080194633-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-08-14 US claimed
WO-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
EP-3645516-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS Janssen Pharmaceutica NV (BE) 2020-05-06 EP disclosed
WO-2019001420-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2019-01-03 WO disclosed
US-9227967-B2 Inhibitor compounds of semicarbazide-sensitive amine oxidases PROXIMAGEN LIMITED (GB) 2016-01-05 US disclosed
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
US-20090264466-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-22 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 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 (5 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 ALDH1A1 1710/4885MEN1 665/4885KMT2A 2418/4885
US-20130102587-A1 New Enzyme Inhibitor Compounds SERPINB1, SSB, NFKBIA ALDH1A1 183/4885MEN1 4211/4885KMT2A 4014/4885
US-20080194633-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 ALDH1A1 1710/4885MEN1 665/4885KMT2A 2418/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ALDH1A1 1710/4885MEN1 665/4885KMT2A 2418/4885
US-20090264466-A1 Certain Chemical Entities, Compositions and Methods MYLK, MYH2, MYH10 ALDH1A1 1807/4885MEN1 681/4885KMT2A 2709/4885

“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.