SCHEMBL785166

SCHEMBL785166

NC1CCN(c2ccc(C(F)(F)F)cn2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
ABL1 P00519 1/20 0.61
LMNA P02545 1/20 0.61
DPP4 P27487 1/20 0.54
DPP8 Q6V1X1 1/20 0.54
DPP9 Q86TI2 1/20 0.54
DPP7 Q9UHL4 1/20 0.54
CYP3A4 P08684 2/20 0.53
SYK P43405 1/20 0.52
HRH3 Q9Y5N1 1/20 0.50
GPR119 Q8TDV5 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TRPV1 Q8NER1 6/20 0.49
CA12 O43570 5/20 0.49
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA4 P22748 5/20 0.49
CA7 P43166 5/20 0.49
CA9 Q16790 5/20 0.49

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
SCHEMBL3030259 1.00 KDM4E (0.61) KDM4EABL1LMNADPP4DPP8
SCHEMBL1349588 1.00 KDM4E (0.61) KDM4EABL1LMNADPP4DPP8
Hydrochloric Acid SCHEMBL23167687 0.99 KDM4E (0.60) KDM4EABL1LMNADPP4DPP8
Hydrochloric Acid SCHEMBL23167691 0.99 KDM4E (0.60) KDM4EABL1LMNADPP4DPP8
SCHEMBL1351273 0.91 KDM4E (0.68) KDM4EABL1LMNADPP4DPP8
SCHEMBL7250781 0.90 KDM4E (0.58) KDM4EABL1LMNADPP4DPP8
Hydrochloric Acid SCHEMBL2001717 0.90 KDM4E (0.67) KDM4EABL1LMNADPP4DPP8
Hydrochloric Acid SCHEMBL29773190 0.90 KDM4E (0.67) KDM4EABL1LMNADPP4DPP8
Hydrochloric Acid SCHEMBL2121386 0.90 KDM4E (0.67) KDM4EABL1LMNADPP4DPP8
SCHEMBL4479608 0.88 KDM4E (0.56) KDM4EABL1LMNADPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands NOVARTIS AG (CH) 2010-08-05 US claimed
EP-1425277-B1 UREA-COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN SMITHKLINE BEECHAM PLC (GB) 2009-01-07 EP claimed
EP-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 EP disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
EP-2403854-B1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS GRUENENTHAL GMBH (DE) 2013-09-11 EP disclosed
EP-2403854-B1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS GRUENENTHAL GMBH (DE) 2013-09-11 EP disclosed
US-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 US disclosed
US-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 US disclosed
US-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 US disclosed
EP-1425277-B1 UREA-COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN SMITHKLINE BEECHAM PLC (GB) 2009-01-07 EP disclosed
US-7390817-B2 Combinations of a vanilloid antagonist and an NSAID for the treatment of pain GLAXO GROUP LIMITED (GB) 2008-06-24 US disclosed
US-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 US disclosed
US-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 US disclosed
EP-1434485-B1 NICOTINIC ACID-HETEROCYCLYL-AMIDES AND ANALOGOUS PYRIMIDINE DERIVATIVES FOR USE AS PESTICIDES MERIAL LTD (US) 2007-05-16 EP disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20060093687-A1 Combinations of a vanilloid antagonist and an nsaid for the treatment of pain BOUNTRA CHARANJIT 2006-05-04 US disclosed
EP-1425277-A2 UREA-COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN SmithKline Beecham P.L.C. (GB) 2004-06-09 EP disclosed
WO-2003022809-A2 UREA-COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN SMITHKLINE BEECHAM P.L.C. (GB) 2003-03-20 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 (3 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-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands ADORA2A, ADORA1, ADORA3 KDM4E 3737/4885ABL1 1123/4885LMNA 2449/4885
US-20060093687-A1 Combinations of a vanilloid antagonist and an nsaid for the treatment of pain TRPV1, TRPV2, TRPV3 KDM4E 4440/4885ABL1 4352/4885LMNA 3547/4885
US-20070049571-A1 Dipiperazinyl ketones and related analogues HRH4, HRH3, HRH1 KDM4E 534/4885ABL1 3399/4885LMNA 2902/4885

“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.