SCHEMBL368928

SCHEMBL368928

CCCCCN(CCCCC)C(=O)c1cnccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
NAPRT Q6XQN6 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
TSHR P16473 1/20 0.43
MC4R P32245 1/20 0.43
ADRA1A P35348 1/20 0.43
MC3R P41968 1/20 0.43
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 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
SCHEMBL27917303 0.98 KDM4E (0.57) KDM4ERAB9ANPC1ALDH1A1NFKB1
SCHEMBL10840639 0.82 KDM4E (0.41) KDM4ERAB9ANPC1ALDH1A1NFKB1
SCHEMBL15452693 0.82 PDK1 (0.48) KDM4ERAB9ANPC1ALDH1A1NFKB1
SCHEMBL2570916 0.82 ALDH1A1 (0.54) KDM4ERAB9ANPC1ALDH1A1NFKB1
SCHEMBL18131023 0.80 KDM4E (0.50) KDM4ERAB9AALDH1A1SMN1; SMN2NAPRT
SCHEMBL28052420 0.78 KDM4E (0.45) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL31086825 0.78 KDM4E (0.45) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2569126 0.78 KDM4E (0.47) KDM4ERAB9ANPC1ALDH1A1NFKB1
SCHEMBL10840340 0.77 KDM4E (0.45) KDM4ERAB9ANPC1ALDH1A1NFKB1
SCHEMBL10458612 0.77 KDM4E (0.55) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2

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 KDM4E 2798/4885RAB9A 320/4885NPC1 502/4885
US-20160106752-A1 Use of CB1 Antagonists and/or Inverse Agonists for the Preparation of Drugs that Increase Motor Neuron Excitability CNR1, CNR2, CHRNA9 KDM4E 2170/4885RAB9A 260/4885NPC1 2135/4885
US-20120149639-A1 USE OF A DPP-IV INHIBITOR TO REDUCE HYPOGLYCEMIC EVENTS DPP4, DPP3, DPP7 KDM4E 1177/4885RAB9A 3257/4885NPC1 893/4885
US-20120015945-A1 USE OF CB1 ANTAGONISTS AND/OR INVERSE AGONISTS FOR THE PREPARATION OF DRUGS THAT INCREASE MOTOR NEURON EXCITABILITY CNR1, CNR2, CHRNA9 KDM4E 2170/4885RAB9A 260/4885NPC1 2135/4885

“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.