SCHEMBL1089757

SCHEMBL1089757

CCC(CC)CN1CCCCC1CNc1nc2c(c(N3CCCCCC3)n1)CCCCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.34
HRH4 Q9H3N8 3/20 0.33
PIM1 P11309 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SLC29A1 Q99808 3/20 0.31
HPGD P15428 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CHRM3 P20309 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL1088464 1.00 TRPV1 (0.34) TRPV1HRH4PIM1MEN1KMT2A
SCHEMBL1089958 0.98 HRH4 (0.33) TRPV1HRH4PIM1MEN1KMT2A
SCHEMBL1089297 0.98 HRH4 (0.33) TRPV1HRH4PIM1MEN1KMT2A
SCHEMBL1088486 0.98 TRPV1 (0.34) TRPV1HRH4PIM1MEN1KMT2A
SCHEMBL1089775 0.96 HRH4 (0.33) TRPV1HRH4PIM1MEN1KMT2A
SCHEMBL1089437 0.88 TRPV1 (0.32) TRPV1PIM1
SCHEMBL1089862 0.86 PIM1 (0.33) TRPV1PIM1
SCHEMBL1088520 0.83 S1PR1 (0.35) TRPV1HRH4MEN1KMT2AALDH1A1
SCHEMBL1089001 0.83 S1PR1 (0.35) TRPV1HRH4MEN1KMT2AALDH1A1
SCHEMBL1089530 0.82 TRPV1 (0.36) TRPV1HRH4MEN1KMT2AALDH1A1

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 267/4885HRH4 130/4885PIM1 1273/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 TRPV1 267/4885HRH4 130/4885PIM1 1273/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 TRPV1 267/4885HRH4 130/4885PIM1 1273/4885

“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.