SCHEMBL2383068

SCHEMBL2383068

CN1CCN(c2ccnc(-c3cccs3)n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.64
ALDH1A1 P00352 8/20 0.58
CYP1A2 P05177 7/20 0.58
CYP3A4 P08684 5/20 0.58
CYP2D6 P10635 4/20 0.58
HSD17B10 Q99714 4/20 0.58
CLK4 Q9HAZ1 2/20 0.58
TSHR P16473 2/20 0.58
ALOX15 P16050 1/20 0.56
USP2 O75604 3/20 0.55
CYP2C19 P33261 3/20 0.55
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
KDM4E B2RXH2 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
HRH4 Q9H3N8 2/20 0.54
HRH3 Q9Y5N1 1/20 0.54
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.50
MEN1 O00255 2/20 0.48

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
SCHEMBL2381878 0.78 CYP1A2 (0.74) ALDH1A1CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL2386000 0.77 RIPK3 (0.53) ALDH1A1KDM4EHRH4POLBMEN1
SCHEMBL2386809 0.77 HRH4 (0.57) GBA1ALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL2385074 0.77 ALDH1A1 (0.63) GBA1ALDH1A1KDM4ETDP1LMNA
SCHEMBL2384028 0.74 CYP1A2 (0.63) ALDH1A1CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL2383996 0.72 CYP1A2 (0.66) ALDH1A1CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL14029975 0.72 HRH4 (0.67) ALDH1A1CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL2385051 0.71 HRH4 (0.59) ALDH1A1KDM4EHRH4POLBMEN1
SCHEMBL2385543 0.71 HRH4 (0.63) ALDH1A1CYP1A2HSD17B10TSHRALOX15
SCHEMBL2386722 0.71 CYP1A2 (0.64) ALDH1A1CYP1A2CYP3A4CYP2D6HSD17B10

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 GBA1 2889/4885ALDH1A1 3938/4885CYP1A2 2697/4885

“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.