SCHEMBL1090484

SCHEMBL1090484

CC1CCC(N2CCCCC(Nc3nccc(N4CCCCCC4)n3)C2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.58
CXCR4 P61073 2/20 0.53
OGA O60502 6/20 0.43
MAPK8 P45983 3/20 0.42
MAPK9 P45984 2/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
EGFR P00533 1/20 0.41
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
ACACB O00763 1/20 0.41

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
SCHEMBL1089680 0.94 CXCR4 (0.57) HRH4CXCR4OGAMAPK8ADRA2B
SCHEMBL1089325 0.94 HRH4 (0.56) HRH4CXCR4OGAMAPK8MAPK9
SCHEMBL1090855 0.92 HRH4 (0.60) HRH4CXCR4MAPK8MAPK9CCNE1
SCHEMBL1090725 0.92 HRH4 (0.60) HRH4CXCR4MAPK8MAPK9CCNE1
SCHEMBL1088910 0.92 HRH4 (0.60) HRH4CXCR4MAPK8MAPK9CCNE1
SCHEMBL1090359 0.92 HRH4 (0.60) HRH4CXCR4MAPK8MAPK9CCNE1
SCHEMBL1089267 0.92 HRH4 (0.60) HRH4CXCR4MAPK8MAPK9CCNE1
SCHEMBL1088438 0.92 HRH4 (0.60) HRH4CXCR4MAPK8MAPK9CCNE1
SCHEMBL1090737 0.92 HRH4 (0.53) HRH4CXCR4OGAMAPK8MAPK9
SCHEMBL1089326 0.91 HRH4 (0.59) HRH4CXCR4MAPK8MAPK9CCNE1

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 130/4885CXCR4 1/4885OGA 2052/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 HRH4 130/4885CXCR4 1/4885OGA 2052/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 HRH4 130/4885CXCR4 1/4885OGA 2052/4885

“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.