SCHEMBL1089775

SCHEMBL1089775

CCC(CC)CN1CCCC1CNc1nc2c(c(N3CCCCCC3)n1)CCC2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.33
PIM1 P11309 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC29A1 Q99808 3/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
VNN1 O95497 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
SCHEMBL1089958 0.98 HRH4 (0.33) HRH4PIM1TRPV1MEN1KMT2A
SCHEMBL1089297 0.98 HRH4 (0.33) HRH4PIM1TRPV1MEN1KMT2A
SCHEMBL1088486 0.98 TRPV1 (0.34) HRH4PIM1TRPV1MEN1KMT2A
SCHEMBL1089757 0.96 TRPV1 (0.34) HRH4PIM1TRPV1MEN1KMT2A
SCHEMBL1088464 0.96 TRPV1 (0.34) HRH4PIM1TRPV1MEN1KMT2A
SCHEMBL1089862 0.88 PIM1 (0.33) PIM1TRPV1
SCHEMBL1089437 0.86 TRPV1 (0.32) PIM1TRPV1
SCHEMBL1089218 0.83 S1PR1 (0.36) HRH4PIM1TRPV1KMT2A
SCHEMBL1088882 0.82 TRPV1 (0.34) HRH4PIM1TRPV1MEN1KMT2A
SCHEMBL1088208 0.82 TRPV1 (0.44) HRH4TRPV1MEN1KMT2ASLC29A1

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

“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.