SCHEMBL443012

SCHEMBL443012

CNCC1COc2ccccc2O1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
ESR2 Q92731 1/20 0.65
MTNR1A P48039 1/20 0.65
CA2 P00918 2/20 0.60
HTR6 P50406 1/20 0.60
ALDH1A1 P00352 4/20 0.60
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
LMNA P02545 2/20 0.56
ALOX12 P18054 1/20 0.54
HTT P42858 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54

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
SCHEMBL15606965 1.00 POLB (0.65) POLBESR2MTNR1ACA2HTR6
SCHEMBL8367125 0.83 POLB (0.75) POLBESR2MTNR1ACA2ALDH1A1
SCHEMBL18358970 0.83 POLB (0.75) POLBESR2MTNR1ACA2ALDH1A1
SCHEMBL9413231 0.83 CA2 (0.62) POLBESR2MTNR1ACA2ALDH1A1
SCHEMBL9695874 0.82 MTNR1A (0.65) POLBESR2MTNR1ACA2ALDH1A1
SCHEMBL7745204 0.81 POLB (0.60) POLBESR2MTNR1ACA2ALDH1A1
SCHEMBL13532085 0.81 POLB (0.60) POLBESR2MTNR1ACA2ALDH1A1
SCHEMBL16419112 0.81 POLB (0.60) POLBESR2MTNR1ACA2ALDH1A1
SCHEMBL10864903 0.80 POLB (0.97) POLBESR2MTNR1ACA2ALDH1A1
SCHEMBL29353196 0.80 POLB (0.97) POLBESR2MTNR1ACA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12291533-B2 Substituted fused pyrimidine compounds and uses thereof NORTHWESTERN UNIVERSITY (US) 2025-05-06 US disclosed
US-20200283444-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS AND USES THEREOF NORTHWESTERN UNIVERSITY 2020-09-10 US disclosed
US-20170340636-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF AUTOPHAGY UNIV TEXAS (US) 2017-11-30 US disclosed
EP-1768970-B1 SULFAMATE AND SULFAMIDE DERIVATIVES FOR THE TREATMENT OF EPILEPSY AND RELATED DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
US-20150031878-A1 DERIVATIVES OF DOCOSAHEXAENOYLETHANOLAMIDE AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2015-01-29 US disclosed
US-8937096-B2 Use of benzo-fused heterocyle sulfamide derivatives for the treatment of mania and bipolar disorder JANSSEN PHARMACEUTICA NV (BE) 2015-01-20 US disclosed
US-8853263-B2 Co-therapy for the treatment of epilepsy and related disorders JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 US disclosed
EP-1968572-B1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF SUBSTANCE ABUSE AND ADDICTION JANSSEN PHARMACEUTICA NV (BE) 2014-08-06 EP disclosed
EP-2276481-B1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF ANXIETY JANSSEN PHARMACEUTICA NV (BE) 2014-07-30 EP disclosed
US-8716231-B2 Use of benzo-fused heterocycle sulfamide derivatives for the treatment of pain JANSSEN PHARMACEUTICA NV (BE) 2014-05-06 US disclosed
WO-2007075752-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-05 WO disclosed
EP-1768970-A1 SULFAMATE AND SULFAMIDE DERIVATIVES FOR THE TREATMENT OF EPILEPSY AND RELATED DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-04 EP disclosed
US-20060041008-A1 Novel sulfamate and sulfamide derivatives useful for the treatment of epilepsy and related disorders JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-23 US disclosed
WO-2006007436-A1 SULFAMATE AND SULFAMIDE DERIVATIVES FOR THE TREATMENT OF EPILEPSY AND RELATED DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-19 WO disclosed
WO-2006007435-A1 SULFAMATE AND SULFAMIDE DERIVATIVES FOR THE TREATMENT OF EPILEPSY AND RELATED DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-19 WO disclosed
US-20050282887-A1 Novel sulfamate and sulfamide derivatives useful for the treatment of epilepsy and related disorders JANSSEN PHARMACEUTICA NV (BE) 2005-12-22 US disclosed
US-6756373-B1 SUCH AS 5-(2-BUTOXY-5-IODO-3-PYRIDINYL)-3-ETHYL-2-(2-METHOXY-ETHYL)-2,6-DIHYDRO-7H -PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; ERECTILE DYSFUNCTION PFIZER INC. 2004-06-29 US disclosed
EP-1222190-A1 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS Pfizer Limited (GB) 2002-07-17 EP disclosed
WO-2001027112-A1 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS PFIZER LIMITED (GB) 2001-04-19 WO disclosed
EP-0586866-A2 1,4,-Benzodioxane derivatives with pharmacologic properties MERCK PATENT GmbH (DE) 1994-03-16 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-20200283444-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS AND USES THEREOF GBA3, GBA1, GBA2 POLB 1069/4885ESR2 4838/4885MTNR1A 4350/4885
US-20170340636-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF AUTOPHAGY ATG7, BECN1, ULK1 POLB 2817/4885ESR2 1940/4885MTNR1A 1895/4885
US-20060041008-A1 Novel sulfamate and sulfamide derivatives useful for the treatment of epilepsy and related disorders SULT2A1, STS, GRIK5 POLB 4415/4885ESR2 1341/4885MTNR1A 734/4885
US-20050282887-A1 Novel sulfamate and sulfamide derivatives useful for the treatment of epilepsy and related disorders SULT2A1, STS, GRIK5 POLB 4415/4885ESR2 1341/4885MTNR1A 734/4885
US-20150031878-A1 DERIVATIVES OF DOCOSAHEXAENOYLETHANOLAMIDE AND USES THEREOF GAP43, DGAT2, DCX POLB 1719/4885ESR2 1969/4885MTNR1A 2491/4885
US-12291533-B2 Substituted fused pyrimidine compounds and uses thereof GBA3, GBA1, GBA2 POLB 1069/4885ESR2 4838/4885MTNR1A 4350/4885

“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.