SCHEMBL166623

SCHEMBL166623

CC[CH]NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA7 P43166 2/20 0.42
CA12 O43570 2/20 0.42
CA14 Q9ULX7 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 2/20 0.40
CTSK P43235 6/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK10 P53779 1/20 0.38
APLNR P35414 1/20 0.38
CTSS P25774 1/20 0.38
DGAT1 O75907 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
BTK Q06187 1/20 0.36

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
SCHEMBL166206 0.85 CA1 (0.42) CA1CA7CA12CA14TDP1
SCHEMBL6612741 0.84 TDP1 (0.44) CA1CA7CA12CA14TDP1
SCHEMBL10435327 0.83 TDP1 (0.39) CA1CA7CA12CA14TDP1
SCHEMBL6611508 0.82 CTSK (0.41) CA1CA7CA12CA14TDP1
SCHEMBL571467 0.81 CTSK (0.40) CA1CA7CA12CA14TDP1
SCHEMBL16061377 0.81 CTSK (0.40) CA1CA7CA12CA14TDP1
SCHEMBL6609512 0.81 CA12 (0.42) CA1CA7CA12CA14TDP1
SCHEMBL20159624 0.81 CTSK (0.40) CA1CA7CA12CA14TDP1
SCHEMBL4018044 0.81 MEN1 (0.40) CA1CA7CA12CA14TDP1
SCHEMBL10744068 0.81 CTSK (0.40) CA1CA7CA12CA14TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114276411-A Solid phase synthesis method of cyclic peptide compound containing trithioether bond 北京大学深圳研究生院 2022-04-05 CN claimed
CN-113874375-A Cyclic amide compounds and methods thereof for the treatment of rabies 株式会社大分大学先端医学研究所 2021-12-31 CN claimed
WO-2020246503-A1 CYCLIC AMIDE COMPOUNDS FOR RABIES TREATMENT AND METHOD THEREOF 株式会社大分大学先端医学研究所 2020-12-10 WO claimed
CN-111757880-A Method for synthesizing cyclic depsipeptides 拜耳动物保健有限责任公司 2020-10-09 CN claimed
EP-3676265-A1 METHOD FOR THE SYNTHESIS OF CYCLIC DEPSIPEPTIDES Bayer Animal Health GmbH (DE) 2020-07-08 EP claimed
US-8778956-B2 Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 US claimed
EP-1601674-B1 Hydroxyalkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders JANSSEN PHARMACEUTICA NV (BE) 2012-08-08 EP claimed
JP-4712384-B2 2011-06-29 JP claimed
US-7582649-B2 Oral administration of a dosage of 3-(3-amino-2-(R)-hydroxy-propyl)-1-(4-fluoro-phenyl)-8-(8-methyl-naphthalen-1-ylmethyl)-1,3,8-triaza-spiro[4.5]decan-4-one and a carrier; opiod receptor-like-1 G-protein coupled receptor inhibitors; psychological disorders; nervous system disorders; antidiabetic agents JANSSEN PHARMACEUTICA, NV (BE) 2009-09-01 US claimed
US-20090124614-A1 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS BATTISTA KATHLEEN 2009-05-14 US claimed
CN-1343206-A Cyclocompound FUJISAWA PHARMACEUTICAL CO (JP) 2002-04-03 CN claimed
WO-2001098278-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES CYTOKINETICS, INC. (US) 2001-12-27 WO claimed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
WO-2001030768-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES CYTOKINETICS, INC. (US) 2001-05-03 WO claimed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO claimed
US-5856324-A Use of dioxomorpholines for combat endoparasites, dioxomorpholines and process for their production BAYER AKTIENGESELLSCHAFT (DE) 1999-01-05 US claimed
US-5571793-A COMBATTING ENDOPARASITES IN HUMANS OR ANIMALS BY ADMINISTERING PEPTIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-11-05 US claimed
EP-0007470-B1 CEPHEM COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-10-12 EP claimed
US-4268509-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-19 US claimed
EP-0007470-A2 Cephem compounds, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-06 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090124614-A1 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS OPRL1, ADRA1D, OPRD1 CA1 3536/4885CA7 4234/4885CA12 4724/4885

“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.