SCHEMBL4479608

SCHEMBL4479608

NC1CN(c2ccc(C(F)(F)F)cn2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ABL1 P00519 1/20 0.56
LMNA P02545 1/20 0.56
HSD11B1 P28845 1/20 0.49
HCRTR1 O43613 4/20 0.49
HCRTR2 O43614 4/20 0.49
CYP3A4 P08684 2/20 0.48
HRH3 Q9Y5N1 1/20 0.47
ACACB O00763 1/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
HPGD P15428 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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 0.88 KDM4E (0.61) KDM4EABL1LMNACYP3A4HRH3
SCHEMBL1349588 0.88 KDM4E (0.61) KDM4EABL1LMNACYP3A4HRH3
SCHEMBL785166 0.88 KDM4E (0.61) KDM4EABL1LMNACYP3A4HRH3
SCHEMBL4635341 0.87 LMNA (0.53) KDM4EABL1LMNAHSD11B1HCRTR1
Hydrochloric Acid SCHEMBL23167687 0.86 KDM4E (0.60) KDM4EABL1LMNACYP3A4HRH3
Hydrochloric Acid SCHEMBL23167691 0.86 KDM4E (0.60) KDM4EABL1LMNACYP3A4HRH3
SCHEMBL1351273 0.84 KDM4E (0.68) KDM4EABL1LMNAHSD11B1CYP3A4
SCHEMBL19959074 0.83 HCRTR1 (0.40) KDM4EABL1LMNAHSD11B1HCRTR1
Hydrochloric Acid SCHEMBL29773190 0.83 KDM4E (0.67) KDM4EABL1LMNAHSD11B1CYP3A4
Hydrochloric Acid SCHEMBL2001717 0.83 KDM4E (0.67) KDM4EABL1LMNAHSD11B1CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276447-A1 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain GLAXO GROUP LIMITED (GB) 2006-12-07 US claimed
EP-1601665-A2 UREA DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-07 EP claimed
WO-2004078744-A2 UREA DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR ANTAGONISTS IN THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-09-16 WO claimed
US-7514562-B2 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain GLAXO GROUP LIMITED (GB) 2009-04-07 US disclosed
US-20060276447-A1 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain GLAXO GROUP LIMITED (GB) 2006-12-07 US disclosed
EP-1601665-A2 UREA DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-07 EP disclosed
WO-2004078744-A2 UREA DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR ANTAGONISTS IN THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-09-16 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 (1 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-20060276447-A1 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain TRPV1, UTS2R, OPRL1 KDM4E 3253/4885ABL1 1742/4885LMNA 3226/4885

“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.