SCHEMBL1090472

SCHEMBL1090472

c1ccc2c(N3CCCCC3)nc(NCCCN3CCCC3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.65
MRGPRX1 Q96LB2 1/20 0.61
ACP1 P24666 4/20 0.58
HRH2 P25021 1/20 0.56
HRH1 P35367 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ATM Q13315 2/20 0.53
MAPK1 P28482 2/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
GAA P10253 2/20 0.52
HPGD P15428 2/20 0.52
GLA P06280 1/20 0.52
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
RECQL P46063 2/20 0.51
KMT2A Q03164 2/20 0.51

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
SCHEMBL1088872 1.00 HRH3 (0.65) HRH3MRGPRX1ACP1HRH2HRH1
SCHEMBL1088939 1.00 HRH3 (0.65) HRH3MRGPRX1ACP1HRH2HRH1
SCHEMBL1090556 0.99 HRH3 (0.63) HRH3MRGPRX1ACP1HRH2HRH1
SCHEMBL1088654 0.93 MRGPRX1 (0.64) HRH3MRGPRX1ACP1L3MBTL1KDM4E
SCHEMBL1089640 0.93 MRGPRX1 (0.64) HRH3MRGPRX1ACP1L3MBTL1KDM4E
SCHEMBL1089359 0.93 MRGPRX1 (0.64) HRH3MRGPRX1ACP1L3MBTL1KDM4E
SCHEMBL1090823 0.93 MRGPRX1 (0.64) HRH3MRGPRX1ACP1L3MBTL1KDM4E
SCHEMBL1089901 0.93 MRGPRX1 (0.64) HRH3MRGPRX1ACP1L3MBTL1KDM4E
SCHEMBL1088912 0.93 MRGPRX1 (0.64) HRH3MRGPRX1ACP1L3MBTL1KDM4E
SCHEMBL1089602 0.93 MRGPRX1 (0.64) HRH3MRGPRX1ACP1L3MBTL1KDM4E

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 HRH3 94/4885MRGPRX1 237/4885ACP1 2114/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 HRH3 94/4885MRGPRX1 237/4885ACP1 2114/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 HRH3 94/4885MRGPRX1 237/4885ACP1 2114/4885

“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.