SCHEMBL350765

SCHEMBL350765

Cn1nc(C(C)(C)C)cc1C(=O)Cl

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRN P28799 5/20 0.71
SORT1 Q99523 5/20 0.71
KDM4E B2RXH2 1/20 0.71
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.47
MAPK14 Q16539 3/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
GALR3 O60755 1/20 0.43
RAB9A P51151 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
CTSL P07711 1/20 0.42
CACNA1H O95180 1/20 0.42
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.41

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
SCHEMBL951323 0.84 KDM4E (0.50) GRNSORT1KDM4ERAB9ACTSL
SCHEMBL8260077 0.83 GRN (0.73) GRNSORT1KDM4EMAPTLMNA
SCHEMBL1572486 0.83 GRN (1.00) GRNSORT1KDM4EMAPTLMNA
Hydrochloric Acid SCHEMBL8760885 0.81 GRN (0.96) GRNSORT1KDM4EMAPTLMNA
SCHEMBL12868385 0.81 GRN (0.71) GRNSORT1KDM4EMAPTLMNA
SCHEMBL352072 0.81 GRN (0.71) GRNSORT1KDM4EMAPTLMNA
SCHEMBL350610 0.79 GRN (0.67) GRNSORT1KDM4EMAPTLMNA
SCHEMBL20646935 0.79 GRN (0.67) GRNSORT1KDM4EMAPTLMNA
SCHEMBL7985728 0.79 KDM4E (0.67) GRNSORT1KDM4EMAPTLMNA
SCHEMBL13545145 0.79 GRN (0.67) GRNSORT1KDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109928967-B Cyclized berberine derivative and preparation method and application thereof 中国医学科学院医药生物技术研究所 2020-09-04 CN disclosed
EP-2542552-B1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-15 EP disclosed
US-9718820-B2 Substituted aza-bicyclic imidazole derivatives useful TRPM8 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-01 US disclosed
US-20160304518-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-10-20 US disclosed
US-9409915-B2 Substituted aza-bicyclic imidazole derivatives useful as TRPM8 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-08-09 US disclosed
US-20150158875-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-06-11 US disclosed
US-9023846-B2 Substituted AZA-bicyclic imidazole derivatives useful as TRPM8 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2015-05-05 US disclosed
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 US disclosed
US-20140155395-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2014-06-05 US disclosed
US-8680098-B2 Substituted aza-bicyclic imidazole derivatives useful as TRPM8 receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-03-25 US disclosed
EP-1472230-A2 ANSAMYCINS HAVING IMPROVED PHARMACOLOGICAL AND BIOLOGICAL PROPERTIES Conforma Therapeutic Corporation (US) 2004-11-03 EP disclosed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20040019113-A1 Phosphate transport inhibitors GELTEX PHARMACEUTICALS, INC. 2004-01-29 US disclosed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 WO disclosed
WO-2003086385-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-23 WO disclosed
WO-2003066005-A2 ANSAMYCINS HAVING IMPROVED PHARMACOLOGICAL AND BIOLOGICAL PROPERTIES CONFORMA THERAPEUTICS CORPORATION (US) 2003-08-14 WO disclosed
EP-0618195-B1 Insecticidal, acaricidal and fungicidal pyrazole phenoxyalkylamin derivatives and process for preparing the same UBE INDUSTRIES (JP) 1997-06-04 EP disclosed
US-5380744-A Insecticides, miticides or fungicides UBE INDUSTRIES, LTD. (JP) 1995-01-10 US disclosed
EP-0618195-A1 Insecticidal, acaricidal and fungicidal pyrazole phenoxyalkylamin derivatives and process for preparing the same UBE INDUSTRIES, LTD. (JP) 1994-10-05 EP 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 (6 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-20040019113-A1 Phosphate transport inhibitors SLC34A1, SLC34A2, SLC20A1 GRN 2379/4885SORT1 2428/4885KDM4E 4292/4885
US-20160304518-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 GRN 3208/4885SORT1 4709/4885KDM4E 1215/4885
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 GRN 4489/4885SORT1 4738/4885KDM4E 3082/4885
US-20150158875-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 GRN 3208/4885SORT1 4709/4885KDM4E 1215/4885
US-20140155395-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 GRN 3208/4885SORT1 4709/4885KDM4E 1215/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK GRN 4156/4885SORT1 4702/4885KDM4E 3560/4885

“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.