SCHEMBL2385606

SCHEMBL2385606

CN1CCN(c2cc(-c3cccc(-c4ccccc4)c3)ccn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.58
KDM4E B2RXH2 1/20 0.56
RAD52 P43351 1/20 0.56
UBE2N P61088 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
RIPK3 Q9Y572 1/20 0.53
HTR3A P46098 2/20 0.51
CSNK1D P48730 1/20 0.51
MAPK14 Q16539 1/20 0.51
ALK Q9UM73 1/20 0.49
MET P08581 1/20 0.48
HTR6 P50406 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MAPKAPK2 P49137 1/20 0.46

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
SCHEMBL15344219 0.87 RAD52 (0.55) HRH4KDM4ERAD52UBE2NL3MBTL1
SCHEMBL15340858 0.83 KDM4E (0.52) HRH4KDM4ERAD52UBE2NL3MBTL1
SCHEMBL2383996 0.83 CYP1A2 (0.66) HRH4KDM4ERIPK3HTR3AMET
SCHEMBL3137101 0.82 KDM4E (0.53) HRH4KDM4ERAD52UBE2NL3MBTL1
SCHEMBL9614265 0.81 KDM4E (0.46) HRH4KDM4ERAD52UBE2NL3MBTL1
SCHEMBL18903801 0.81 NPC1 (0.59) HRH4KDM4EMAPK14ALDH1A1TSHR
SCHEMBL3131247 0.80 KDM4E (0.52) HRH4KDM4ERAD52UBE2NL3MBTL1
SCHEMBL2384691 0.79 HTR6 (0.66) HRH4KDM4ERAD52UBE2NL3MBTL1
SCHEMBL2385960 0.78 HRH4 (0.61) HRH4RIPK3HTR3AALKMAPKAPK2
SCHEMBL3442456 0.78 DYRK1A (0.64) CSNK1DMAPK14

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009035671-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROARYL DERIVATIVES USEFUL AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 WO claimed
US-20090069305-A1 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-12 US claimed
US-8022209-B2 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2011-09-20 US disclosed
US-8022209-B2 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2011-09-20 US disclosed
US-8022209-B2 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2011-09-20 US disclosed
WO-2009035671-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROARYL DERIVATIVES USEFUL AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 WO disclosed
WO-2009035671-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROARYL DERIVATIVES USEFUL AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 WO disclosed
US-20090069305-A1 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-12 US disclosed
US-20090069305-A1 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-12 US disclosed
US-20090069305-A1 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-12 US 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 (1 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-20090069305-A1 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor HRH4, HRH3, HRH2 HRH4 1/4885KDM4E 1697/4885RAD52 3310/4885

“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.