SCHEMBL2072142

SCHEMBL2072142

O=C(Nc1ccc2cccnc2c1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
ALDH1A1 P00352 4/20 0.67
MAPT P10636 5/20 0.60
LMNA P02545 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
TP53 P04637 1/20 0.60
TRPV1 Q8NER1 3/20 0.56
KDM4E B2RXH2 3/20 0.54
ABL1 P00519 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MALT1 Q9UDY8 2/20 0.51
HTT P42858 3/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.48
GSK3B P49841 1/20 0.48

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
SCHEMBL2072970 0.84 TRPV1 (0.54) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL12668377 0.80 KMT2A (0.70) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL25111499 0.78 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2072168 0.76 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL25111352 0.75 LMNA (0.71) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL4426962 0.74 TRPV1 (0.57) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL12530254 0.74 ALDH1A1 (0.72) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL5714858 0.74 HTT (0.59) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL327492 0.73 LMNA (0.78) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL31381261 0.73 LMNA (0.78) MEN1KMT2AALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059979-A1 Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators GLAXO GROUP LIMITED (GB) 2011-03-10 US claimed
JP-2007502258-A 2007-02-08 JP claimed
EP-1660481-A1 PIPERIDINE/CYCLOHEXANE CARBOXAMIDE DERIVATIVES FOR USE AS VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-05-31 EP claimed
WO-2005016915-A1 PIPERIDINE/CYCLOHEXANE CARBOXAMIDE DERIVATIVES FOR USE AS VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-02-24 WO claimed
US-20110059979-A1 Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators GLAXO GROUP LIMITED (GB) 2011-03-10 US disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1660481-A1 PIPERIDINE/CYCLOHEXANE CARBOXAMIDE DERIVATIVES FOR USE AS VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-05-31 EP disclosed
WO-2005016915-A1 PIPERIDINE/CYCLOHEXANE CARBOXAMIDE DERIVATIVES FOR USE AS VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-02-24 WO disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 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 (2 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 MEN1 3527/4885KMT2A 3992/4885ALDH1A1 2107/4885
US-20110059979-A1 Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators TRPV1, CNR1, OPRM1 MEN1 4455/4885KMT2A 2950/4885ALDH1A1 1905/4885

“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.