SCHEMBL1089094

SCHEMBL1089094

c1ccc(CN2CCCCC2CNc2nc3c(c(N4CCCCCC4)n2)CNCC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.39
HTR2B P41595 1/20 0.39
HTR2A P28223 1/20 0.38
BRS3 P32247 6/20 0.36
VCP P55072 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL1089181 0.98 HTR2C (0.39) HTR2CHTR2BHTR2ABRS3VCP
SCHEMBL1090181 0.88 MRGPRX1 (0.38) BRS3KDM4EALDH1A1HPGDHIF1A
SCHEMBL1089525 0.88 MRGPRX1 (0.38) BRS3KDM4EALDH1A1HPGDHIF1A
SCHEMBL1089891 0.88 KDM4E (0.38) BRS3KDM4EALDH1A1HPGDHIF1A
SCHEMBL1090107 0.86 HRH2 (0.39) BRS3KDM4EALDH1A1HPGDHIF1A
SCHEMBL1088751 0.86 KDM4E (0.38) BRS3KDM4EALDH1A1HPGDHIF1A
SCHEMBL1088571 0.86 HRH2 (0.39) BRS3KDM4EALDH1A1HPGDHIF1A
SCHEMBL1088531 0.85 TRPV1 (0.33) HTR2CHTR2BHTR2AVCPALDH1A1
SCHEMBL1089887 0.84 ACHE (0.32) HTR2CHTR2BHTR2AVCPALDH1A1
SCHEMBL1090006 0.84 HRH3 (0.41) TRPV1

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 HTR2C 1486/4885HTR2B 1043/4885HTR2A 1761/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 HTR2C 1486/4885HTR2B 1043/4885HTR2A 1761/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 HTR2C 1486/4885HTR2B 1043/4885HTR2A 1761/4885

“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.