SCHEMBL2385642

SCHEMBL2385642

CN1CCN(c2ccnc(-c3cccc(N(C)C)c3)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.57
MAP4K1 Q92918 1/20 0.53
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GLA P06280 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
FYN P06241 1/20 0.45
USP2 O75604 1/20 0.44
CYP3A4 P08684 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
PHGDH O43175 1/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL2384387 0.89 HRH4 (0.54) HRH4MAP4K1ALDH1A1CYP1A2HSD17B10
SCHEMBL2385751 0.83 HRH4 (0.61) HRH4GLAMEN1GAAKMT2A
SCHEMBL2385960 0.83 HRH4 (0.61) HRH4MAP4K1GLAMEN1GAA
SCHEMBL2384160 0.82 HRH4 (0.68) HRH4MAP4K1GLAMEN1GAA
SCHEMBL2383528 0.82 HRH4 (0.60) HRH4GLAMEN1GAAKMT2A
SCHEMBL2383511 0.82 HRH4 (0.60) HRH4GLAFYNMEN1GAA
SCHEMBL2385977 0.80 HRH4 (0.64) HRH4MAP4K1GLAKDM4EMAPT
SCHEMBL2384540 0.80 HRH4 (0.57) HRH4MAP4K1GLAMEN1GAA
SCHEMBL2384549 0.79 HRH4 (0.56) HRH4ALDH1A1FYNPHGDHMEN1
SCHEMBL2384565 0.79 HRH4 (0.56) HRH4ALDH1A1KDM4EMAPTHPGD

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 1/4885MAP4K1 2507/4885ALDH1A1 3938/4885

“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.