SCHEMBL1088752

SCHEMBL1088752

c1ccc(-c2n[nH]cc2CN2CCCCC2CNc2nc3c(c(N4CCCCCC4)n2)CCC3)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPV1 Q8NER1 2/20 0.34
ALDH1A1 P00352 1/20 0.33
NPY5R Q15761 1/20 0.33
IGF1R P08069 1/20 0.32
ACHE P22303 1/20 0.32
BRS3 P32247 2/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL1088666 0.98 MEN1 (0.36) MEN1KMT2ATRPV1ALDH1A1NPY5R
SCHEMBL1089372 0.98 MEN1 (0.36) MEN1KMT2ATRPV1ALDH1A1NPY5R
SCHEMBL1088718 0.98 MEN1 (0.36) MEN1KMT2ATRPV1ALDH1A1NPY5R
SCHEMBL1089964 0.97 MEN1 (0.34) MEN1KMT2ATRPV1ALDH1A1NPY5R
SCHEMBL1089376 0.97 MEN1 (0.34) MEN1KMT2ATRPV1ALDH1A1NPY5R
SCHEMBL1088531 0.91 TRPV1 (0.33) TRPV1ALDH1A1NPY5RACHE
SCHEMBL1089887 0.89 ACHE (0.32) TRPV1ALDH1A1NPY5RACHE
SCHEMBL1089891 0.84 KDM4E (0.38) MEN1KMT2ATRPV1ALDH1A1IGF1R
SCHEMBL1088751 0.82 KDM4E (0.38) ALDH1A1IGF1RBRS3HRH2HRH1
SCHEMBL1090181 0.82 MRGPRX1 (0.38) MEN1KMT2ATRPV1ALDH1A1BRS3

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 MEN1 3648/4885KMT2A 3064/4885TRPV1 267/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 MEN1 3648/4885KMT2A 3064/4885TRPV1 267/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 MEN1 3648/4885KMT2A 3064/4885TRPV1 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.