SCHEMBL2383241

SCHEMBL2383241

CN1CCN(c2ccnc(-c3ccc4ccccc4c3)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.61
HRH4 Q9H3N8 3/20 0.60
MET P08581 1/20 0.54
KDM4E B2RXH2 2/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
XBP1 P17861 1/20 0.51
KLF5 Q13887 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RAD52 P43351 1/20 0.51
CSNK1D P48730 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DKK1 O94907 1/20 0.46
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2385977 0.85 HRH4 (0.64) HTR3AHRH4KDM4ERAB9ANPC1
SCHEMBL2384160 0.84 HRH4 (0.68) HTR3AHRH4MEN1GLAGAA
SCHEMBL2385960 0.82 HRH4 (0.61) HTR3AHRH4MEN1GLAGAA
SCHEMBL3651842 0.81 DKK1 (0.69) HTR3AHRH4METKDM4ERAB9A
SCHEMBL2384967 0.81 HRH4 (0.56) HRH4KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL2385008 0.80 HRH4 (0.66) HRH4KDM4ERAB9ANPC1MAPT
SCHEMBL31298747 0.80 HTR3A (0.56) HTR3AHRH4METKDM4ERAB9A
SCHEMBL2385583 0.80 HRH4 (0.55) HRH4METMAPK14MEN1KMT2A
SCHEMBL2383225 0.80 HRH4 (0.61) HRH4MEN1GLAGAAKMT2A
SCHEMBL12257886 0.80 HRH4 (0.61) HRH4MAPTSMN1; SMN2L3MBTL1MEN1

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 HTR3A 14/4885HRH4 1/4885MET 261/4885

“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.