SCHEMBL1089072

SCHEMBL1089072

OCCN(CCO)CCNc1nc(N2CCCCCC2)c2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.58
LMNA P02545 5/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
MAPK1 P28482 2/20 0.51
GAA P10253 2/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 2/20 0.51
RECQL P46063 2/20 0.51
POLB P06746 2/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
NR4A1 P22736 1/20 0.51
RAD52 P43351 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ATM Q13315 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
HPGD P15428 2/20 0.49

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
SCHEMBL1089711 1.00 MRGPRX1 (0.58) MRGPRX1LMNAKMT2AMAPTMEN1
SCHEMBL1088565 1.00 MRGPRX1 (0.58) MRGPRX1LMNAKMT2AMAPTMEN1
SCHEMBL1089863 0.99 MRGPRX1 (0.59) MRGPRX1LMNAKMT2AMAPTMEN1
SCHEMBL1089980 0.94 MRGPRX1 (0.57) MRGPRX1LMNAKMT2AMAPTMEN1
SCHEMBL1089051 0.94 MRGPRX1 (0.57) MRGPRX1LMNAKMT2AMAPTMEN1
SCHEMBL1088871 0.94 MRGPRX1 (0.57) MRGPRX1LMNAKMT2AMAPTMEN1
SCHEMBL1089423 0.93 MRGPRX1 (0.58) MRGPRX1LMNAKMT2AMAPTMEN1
SCHEMBL1089378 0.87 MRGPRX1 (0.59) MRGPRX1LMNAKMT2AMAPTMEN1
SCHEMBL1089154 0.87 MRGPRX1 (0.59) MRGPRX1LMNAKMT2AMAPTMEN1
SCHEMBL1089537 0.87 MRGPRX1 (0.59) MRGPRX1LMNAKMT2AMAPTMEN1

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 MRGPRX1 237/4885LMNA 3658/4885KMT2A 3064/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 MRGPRX1 237/4885LMNA 3658/4885KMT2A 3064/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 MRGPRX1 237/4885LMNA 3658/4885KMT2A 3064/4885

“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.