SCHEMBL2951585

SCHEMBL2951585

CN(CCNc1nc2c(c(N3CCCCCC3)n1)CCCC2)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.45
HRH3 Q9Y5N1 5/20 0.43
HRH1 P35367 5/20 0.43
HRH4 Q9H3N8 4/20 0.43
MRGPRX1 Q96LB2 1/20 0.41
USP7 Q93009 2/20 0.41
USP10 Q14694 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
HRH2 P25021 2/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
PABPC1 P11940 1/20 0.40
EIF4H Q15056 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 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 1.00 UBE2N (0.45) UBE2NHRH3HRH1HRH4MRGPRX1
SCHEMBL2954356 0.98 UBE2N (0.43) UBE2NHRH3HRH1HRH4MRGPRX1
SCHEMBL2945504 0.88 HRH1 (0.40) UBE2NHRH3HRH1HRH4MRGPRX1
SCHEMBL2950502 0.82 HRH3 (0.48) HRH3HRH1ACHEHRH2PABPC1
SCHEMBL2951046 0.82 HRH3 (0.48) HRH3HRH1ACHEHRH2PABPC1
SCHEMBL2951544 0.80 HRH3 (0.45) HRH3HRH1HRH2PABPC1EIF4H
SCHEMBL1089043 0.75 HRH4 (0.60) HRH3HRH4MRGPRX1ACHEHRH2
SCHEMBL1088571 0.72 HRH2 (0.39) HRH3HRH1MRGPRX1HRH2
SCHEMBL1090181 0.72 MRGPRX1 (0.38) HRH3HRH1MRGPRX1HRH2PDE4A
SCHEMBL1090107 0.72 HRH2 (0.39) HRH3HRH1MRGPRX1HRH2

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 3376/4885HRH3 94/4885HRH1 155/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 UBE2N 3376/4885HRH3 94/4885HRH1 155/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 UBE2N 3376/4885HRH3 94/4885HRH1 155/4885

“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.