SCHEMBL1998095

SCHEMBL1998095

Clc1ccc(N2CC[CH]CC2)nc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.55
KMT2A Q03164 1/20 0.47
DRD2 P14416 6/20 0.46
DRD4 P21917 5/20 0.46
DRD3 P35462 3/20 0.46
TMEM97 Q5BJF2 3/20 0.46
SIGMAR1 Q99720 3/20 0.46
HTR1A P08908 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR7 P34969 2/20 0.46
GPR119 Q8TDV5 1/20 0.46
PANK3 Q9H999 1/20 0.44
OGA O60502 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DEGS1 O15121 1/20 0.40

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
SCHEMBL16695272 0.84 CNR2 (0.73) CNR2KMT2ADRD2DRD4DRD3
SCHEMBL29656785 0.82 CNR2 (0.76) CNR2KMT2ADRD2DRD4DRD3
SCHEMBL1447393 0.81 CNR2 (0.55) CNR2KMT2ADRD2DRD4DRD3
SCHEMBL194226 0.79 HTR3A (0.57) CNR2KMT2ASIGMAR1HTR1AHTR2A
SCHEMBL972745 0.79 CNR2 (0.54) CNR2KMT2ADRD2DRD4DRD3
SCHEMBL3911609 0.79 CNR2 (0.64) CNR2KMT2AKDM4EMAPTALDH1A1
SCHEMBL6125262 0.79 KMT2A (0.58) CNR2KMT2ADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL21521416 0.78 HTR3A (0.55) CNR2KMT2ASIGMAR1HTR1AHTR2A
SCHEMBL2000301 0.77 GRIN2D (0.53) CNR2KMT2ADRD2DRD4DRD3
SCHEMBL2005867 0.77 DHFR (0.46) KMT2ADRD2DRD4DRD3TMEM97

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103492366-A Primary amine diazeniumdiolate heterocyclic derivatives MERCK SHARP & DOHME 2014-01-01 CN claimed
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US claimed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 US claimed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 US claimed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 US claimed
CN-101137628-A Non-anilinic derivatives of isothiazol-3(2h)-one 1,1-dioxides as liver x receptor modulators ASTRAZENECA AB (SE) 2008-03-05 CN claimed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP claimed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO claimed
CN-103492366-A Primary amine diazeniumdiolate heterocyclic derivatives MERCK SHARP & DOHME 2014-01-01 CN disclosed
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 US disclosed
CN-101137628-A Non-anilinic derivatives of isothiazol-3(2h)-one 1,1-dioxides as liver x receptor modulators ASTRAZENECA AB (SE) 2008-03-05 CN disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 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 (2 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-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 CNR2 257/4885KMT2A 2880/4885DRD2 4000/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 CNR2 257/4885KMT2A 2880/4885DRD2 4000/4885

“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.