SCHEMBL368929

SCHEMBL368929

CCCCCc1cnc(C(N)=O)c(CCCCC)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37
IKBKB O14920 1/20 0.36
MAPKAPK2 P49137 3/20 0.35
ICAM1 P05362 1/20 0.35

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
SCHEMBL27917305 0.98 KCNH2 (0.41) KCNH2GABRPGABRDGABRA1GABRB1
SCHEMBL699031 0.88 KCNH2 (0.42) KCNH2IKBKBICAM1SELERARB
SCHEMBL9589800 0.81 IKBKB (0.39) KCNH2GABRPGABRDGABRA1GABRB1
SCHEMBL2354951 0.78 KCNH2 (0.47) KCNH2KDM4EALDH1A1HPGDRAB9A
SCHEMBL1512779 0.77 GABRP (0.41) KCNH2GABRPGABRDGABRA1GABRB1
SCHEMBL18131021 0.77 AURKA (0.32) MAPKAPK2
SCHEMBL9755023 0.77 KDM4E (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6706595 0.77 KCNH2 (0.43) KCNH2MAPKAPK2KDM4EALDH1A1HPGD
SCHEMBL28052421 0.76 MAPKAPK2 (0.38) KCNH2IKBKBMAPKAPK2
SCHEMBL3614621 0.76 KDM4E (0.41) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680116-A1 COMBINATION TREATMENT OF OBESITY INVOLVING SELECTIVE CB1-ANTAGONISTS AND LIPASE INHIBITORS Solvay Pharmaceuticals GmbH (DE) 2006-07-19 EP claimed
EP-1663215-A1 NOVEL MEDICAL USE OF SELECTIVE CB1- RECEPTOR ANTAGONISTS Solvay Pharmaceuticals GmbH (DE) 2006-06-07 EP claimed
US-20050101585-A1 Use of selective CB1-antagonists in medical treatments SOLVAY PHARMACEUTICALS GMBH (DE) 2005-05-12 US claimed
WO-2005039579-A1 COMBINATION TREATMENT OF OBESITY INVOLVING SELECTIVE CB1-ANTAGONISTS AND LIPASE INHIBITORS SOLVAY PHARMACEUTICALS GMBH (DE) 2005-05-06 WO claimed
WO-2005020992-A1 NOVEL MEDICAL USE OF SELECTIVE CB1-RECEPTOR ANTAGONISTS SOLVAY PHARMACEUTICALS GMBH (DE) 2005-03-10 WO claimed
US-9592237-B2 Use of CB1 antagonists and/or inverse agonists for the preparation of drugs that increase motor neuron excitability FUNDACION DEL HOSPITAL NACIONAL DE PARAPLEJICOS PARA LA INVESTIGACION Y LA INTEGRACION (FUHNPAIIN) (ES) 2017-03-14 US disclosed
US-20160106752-A1 Use of CB1 Antagonists and/or Inverse Agonists for the Preparation of Drugs that Increase Motor Neuron Excitability FUNDACION DEL HOSPITAL NACIONAL DE PARAPLEJICOS PARA LA INVESTIGACION Y LA INTEGRACION (FUHNPAIIN) (ES) 2016-04-21 US disclosed
US-9238027-B2 Use of CB1 antagonists and/or inverse agonists for the preparation of drugs that increase motor neuron excitability FUNDACION DEL HOSPITAL NACIONAL DE PARAPLEJICOS PARA LA INVESTIGACION Y LA INTEGRACION (FUHNPAIIN) (ES) 2016-01-19 US disclosed
US-20120149639-A1 USE OF A DPP-IV INHIBITOR TO REDUCE HYPOGLYCEMIC EVENTS BALKAN BOERK (US) 2012-06-14 US disclosed
US-20120142638-A1 COMBINATION OF ORGANIC COMPOUNDS WEBB RANDY LEE (US) 2012-06-07 US disclosed
US-8143217-B2 Use of DPP-IV inhibitor to reduce hypoglycemic events NOVARTIS AG (CH) 2012-03-27 US disclosed
US-20120015945-A1 USE OF CB1 ANTAGONISTS AND/OR INVERSE AGONISTS FOR THE PREPARATION OF DRUGS THAT INCREASE MOTOR NEURON EXCITABILITY FUNDACION DEL HOSPITAL NACIONAL DE PA 2012-01-19 US disclosed
WO-2007035665-A1 USE OF A DPP-IV INHIBITOR TO REDUCE HYPOGLYCEMIC EVENTS NOVARTIS AG (CH) 2007-03-29 WO disclosed
WO-2007006790-A2 COMBINATION OF A DPP-IV INHIBITOR AND A CANNABINOID CB1 RECEPTOR ANTAGONIST NOVARTIS AG (CH) 2007-01-18 WO disclosed
CN-1845735-A Novel medical use of selective cb1-receptor antagonists SOLVAY PHARM GMBH (DE) 2006-10-11 CN disclosed
EP-1680116-A1 COMBINATION TREATMENT OF OBESITY INVOLVING SELECTIVE CB1-ANTAGONISTS AND LIPASE INHIBITORS Solvay Pharmaceuticals GmbH (DE) 2006-07-19 EP disclosed
EP-1663215-A1 NOVEL MEDICAL USE OF SELECTIVE CB1- RECEPTOR ANTAGONISTS Solvay Pharmaceuticals GmbH (DE) 2006-06-07 EP disclosed
US-20050101585-A1 Use of selective CB1-antagonists in medical treatments SOLVAY PHARMACEUTICALS GMBH (DE) 2005-05-12 US disclosed
WO-2005039579-A1 COMBINATION TREATMENT OF OBESITY INVOLVING SELECTIVE CB1-ANTAGONISTS AND LIPASE INHIBITORS SOLVAY PHARMACEUTICALS GMBH (DE) 2005-05-06 WO disclosed
WO-2005020992-A1 NOVEL MEDICAL USE OF SELECTIVE CB1-RECEPTOR ANTAGONISTS SOLVAY PHARMACEUTICALS GMBH (DE) 2005-03-10 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 (4 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-20120142638-A1 COMBINATION OF ORGANIC COMPOUNDS REN, ACE, CNR2 KCNH2 1783/4885GABRP 468/4885GABRD 1345/4885
US-20160106752-A1 Use of CB1 Antagonists and/or Inverse Agonists for the Preparation of Drugs that Increase Motor Neuron Excitability CNR1, CNR2, CHRNA9 KCNH2 791/4885GABRP 35/4885GABRD 62/4885
US-20120149639-A1 USE OF A DPP-IV INHIBITOR TO REDUCE HYPOGLYCEMIC EVENTS DPP4, DPP3, DPP7 KCNH2 1126/4885GABRP 1040/4885GABRD 2574/4885
US-20120015945-A1 USE OF CB1 ANTAGONISTS AND/OR INVERSE AGONISTS FOR THE PREPARATION OF DRUGS THAT INCREASE MOTOR NEURON EXCITABILITY CNR1, CNR2, CHRNA9 KCNH2 791/4885GABRP 35/4885GABRD 62/4885

“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.