SCHEMBL1088527

SCHEMBL1088527

CN1CCCC1CNc1nc2c(c(N3CCCCCC3)n1)CNCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KAT2B Q92831 1/20 0.33
HTR2C P28335 3/20 0.32
HTR2A P28223 3/20 0.32
HTR2B P41595 2/20 0.32
SLC29A1 Q99808 3/20 0.32
CHRM3 P20309 2/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
CYP1A2 P05177 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
RAF1 P04049 1/20 0.31

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
SCHEMBL1089049 0.98 TRPV1 (0.43) TRPV1HRH2HRH1HRH3MEN1
SCHEMBL1089907 0.86 HRH2 (0.44) TRPV1HRH2HRH1HRH3MEN1
SCHEMBL1089836 0.86 HRH2 (0.44) TRPV1HRH2HRH1HRH3MEN1
SCHEMBL1088208 0.86 TRPV1 (0.44) TRPV1HRH2HRH1HRH3MEN1
SCHEMBL1089241 0.86 TRPV1 (0.32) TRPV1
SCHEMBL1088844 0.85 S1PR1 (0.34) TRPV1
SCHEMBL1088794 0.84 TRPV1 (0.34) TRPV1
SCHEMBL1089862 0.84 PIM1 (0.33) TRPV1
SCHEMBL1089584 0.84 TRPV1 (0.46) TRPV1HRH2HRH1HRH3MEN1
SCHEMBL1089559 0.84 TRPV1 (0.46) TRPV1HRH2HRH1HRH3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-8153625-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-10 US disclosed
US-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-02 US disclosed
US-7759336-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-20 US disclosed
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-19 US disclosed
EP-1571146-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-09-07 EP 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-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 TRPV1 267/4885HRH2 261/4885HRH1 155/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 TRPV1 267/4885HRH2 261/4885HRH1 155/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 TRPV1 267/4885HRH2 261/4885HRH1 155/4885

“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.