SCHEMBL2954356

SCHEMBL2954356

CN(CCNc1nc2c(c(N3CCCCCC3)n1)CCC2)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.43
HRH1 P35367 4/20 0.43
HRH4 Q9H3N8 4/20 0.43
PABPC1 P11940 1/20 0.42
EIF4H Q15056 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
HRH2 P25021 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
USP7 Q93009 2/20 0.40
USP10 Q14694 1/20 0.40
MRGPRX1 Q96LB2 1/20 0.39
NPY5R Q15761 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2951601 0.98 UBE2N (0.45) UBE2NHRH1HRH4PABPC1EIF4H
SCHEMBL2951585 0.98 UBE2N (0.45) UBE2NHRH1HRH4PABPC1EIF4H
SCHEMBL2945504 0.88 HRH1 (0.40) UBE2NHRH1HRH4HRH3HRH2
SCHEMBL2951544 0.82 HRH3 (0.45) HRH1PABPC1EIF4HHRH3HRH2
SCHEMBL2951046 0.80 HRH3 (0.48) HRH1PABPC1EIF4HHRH3HRH2
SCHEMBL2950502 0.80 HRH3 (0.48) HRH1PABPC1EIF4HHRH3HRH2
SCHEMBL1089043 0.75 HRH4 (0.60) HRH4HRH3HRH2MRGPRX1ALDH1A1
SCHEMBL1089891 0.72 KDM4E (0.38) MRGPRX1ALDH1A1MEN1KMT2A
SCHEMBL1088751 0.72 KDM4E (0.38) HRH1HRH3HRH2ALDH1A1
SCHEMBL1088571 0.70 HRH2 (0.39) HRH1HRH3HRH2MRGPRX1ALDH1A1

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 5 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-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 UBE2N 3376/4885HRH1 155/4885HRH4 130/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 UBE2N 3376/4885HRH1 155/4885HRH4 130/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 UBE2N 3376/4885HRH1 155/4885HRH4 130/4885

“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.