SCHEMBL1349588

SCHEMBL1349588

N[C@@H]1CCN(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
SCHEMBL785166 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425277-B1 UREA-COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN SMITHKLINE BEECHAM PLC (GB) 2009-01-07 EP claimed
WO-2020138271-A1 HETEROCYCLIC DERIVATIVES AS Nav1.7 and Nav1.8 BLOCKERS RAQUALIA PHARMA INC. (JP) 2020-07-02 WO disclosed
US-8063078-B2 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain GLAXOSMITHKLINE LLC (US) 2011-11-22 US disclosed
US-20110200646-A1 The TRPVL Antagonists SB-795498 For Treating Rhinitis GLAXO GROUP LIMITED (GB) 2011-08-18 US disclosed
US-20110200646-A1 The TRPVL Antagonists SB-795498 For Treating Rhinitis GLAXO GROUP LIMITED (GB) 2011-08-18 US disclosed
EP-2298757-A2 Urea compounds active as vanilloid receptor antagonist for the treatment of pain Glaxo Group Limited (GB) 2011-03-23 EP disclosed
WO-2010026129-A1 THE TRPVL ANTAGONIST SB-705498 FOR TREATING RHINITIS GLAXO GROUP LIMITED (GB) 2010-03-11 WO disclosed
WO-2010026128-A1 N-(3-METHYL-5-ISOQUINOLINYL)-N'-((3R)-1-[5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-3-PYRROLIDINYL) UREA FOR THE TREATMENT OF RHINITIS GLAXO GROUP LIMITED (GB) 2010-03-11 WO disclosed
US-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain SMITHKLINE BEECHAM PLC. (GB) 2009-06-25 US disclosed
EP-1425277-B8 UREA-COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2009-04-01 EP disclosed
EP-0912520-B1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES AVENTIS PHARM PROD INC (US) 2003-05-07 EP disclosed
US-6559313-B2 Adenosine derivatives such as (1S,2R,3S,4R)-2,3-dihydroxy-4-(6-(1-(4-trifluormethylpyridin-2-yl)pyrrolidin-3(S)-yl-amino)purin-9-yl)cyclopentanecarboxylic acid isopropylamide AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-06 US 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
EP-1258247-A1 Adenosine analogues for the treatment of insulin resistance syndrome and diabetes Aventis Pharma Deutschland GmbH (DE) 2002-11-20 EP disclosed
US-20020099030-A1 Compounds having antihypertensive, cardioprotective anti-ischemic and antilipolytic properties AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-07-25 US disclosed
US-6376472-B1 N6-SUBSTITUTED ADENOSINES AVENTIS PHARMACEUTICALS, INC. 2002-04-23 US disclosed
WO-2000023447-A1 ADENOSINE ANALOGUES HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC ANTILIPOLYTIC PROPERTIES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-04-27 WO disclosed
EP-0912520-A4 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE POULENC RORER PHARMA (US) 1999-10-06 EP disclosed
EP-0912520-A1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-05-06 EP disclosed
WO-1998001426-A1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-01-15 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-20110200646-A1 The TRPVL Antagonists SB-795498 For Treating Rhinitis TRPA1, TRPV1, TRPV5 KDM4E 2353/4885ABL1 4771/4885LMNA 2630/4885
US-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain TRPV1, OPRL1, UTS2R KDM4E 3411/4885ABL1 1482/4885LMNA 2498/4885
US-20020099030-A1 Compounds having antihypertensive, cardioprotective anti-ischemic and antilipolytic properties HMGCR, TGFB1, APOB KDM4E 2056/4885ABL1 2759/4885LMNA 260/4885

“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.