SCHEMBL942437

SCHEMBL942437

Cc1ccc(OC2CCNCC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.48
HRH1 P35367 3/20 0.43
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 1/20 0.41
SYK P43405 2/20 0.41
KDM1A O60341 1/20 0.41
ROCK1 Q13464 1/20 0.40
IKBKB O14920 2/20 0.39
AR P10275 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
PAICS P22234 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
HTR1A P08908 1/20 0.37
CHUK O15111 1/20 0.37
ACVR1B P36896 1/20 0.36
TGFBR1 P36897 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
Hydrochloric Acid SCHEMBL5340525 0.98 TDO2 (0.47) TDO2HRH1TMEM97SIGMAR1SLC6A2
SCHEMBL26774162 0.90 CHRNB2 (0.47) TDO2
SCHEMBL26774172 0.90 CHRNB2 (0.47) TDO2
SCHEMBL26774177 0.90 CHRNB2 (0.47) TDO2
SCHEMBL20261372 0.88 HCRTR1 (0.44) TDO2HCRTR1HCRTR2HRH3
SCHEMBL12204916 0.84 ACACB (0.43) HCRTR1HCRTR2HRH3
SCHEMBL12204915 0.84 HRH3 (0.40) HCRTR1HCRTR2HRH3KCNH2
SCHEMBL15147591 0.83 PDGFRB (0.44) HCRTR1HCRTR2HRH3
SCHEMBL10078038 0.83 HCRTR1 (0.40) SLC6A2SLC6A4SLC6A3HCRTR1HCRTR2
SCHEMBL941428 0.81 TDO2 (0.46) TDO2HRH1ROCK1IKBKBHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP disclosed
US-20170217946-A1 AMINO-SUBSTITUTED ISOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-03 US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 US disclosed
US-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-8916593-B2 Alkoxy-substituted 2-aminopyridines as ALK inhibitors PFIZER INC. (US) 2014-12-23 US disclosed
US-20080171882-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171882-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
EP-1370556-B1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-07-19 EP disclosed
EP-1676846-A2 Hydantoin derivatives as MMP inhibitors AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370556-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074767-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 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 (7 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 TDO2 3853/4885HRH1 3695/4885TMEM97 3141/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 TDO2 3743/4885HRH1 4006/4885TMEM97 2943/4885
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 TDO2 1327/4885HRH1 904/4885TMEM97 4491/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 TDO2 413/4885HRH1 2214/4885TMEM97 4617/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 TDO2 1740/4885HRH1 1006/4885TMEM97 4671/4885
US-20170217946-A1 AMINO-SUBSTITUTED ISOXAZOLES SULT2A1, TBXA2R, F12 TDO2 558/4885HRH1 845/4885TMEM97 1009/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 TDO2 798/4885HRH1 1395/4885TMEM97 494/4885

“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.