SCHEMBL2385322

SCHEMBL2385322

CN1CCN(c2ccnc(-c3ccoc3)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.65
ALOX15 P16050 3/20 0.65
ALDH1A1 P00352 3/20 0.65
HSD17B10 Q99714 2/20 0.65
HRH4 Q9H3N8 4/20 0.63
CYP2D6 P10635 3/20 0.56
HTR1A P08908 2/20 0.53
DRD2 P14416 2/20 0.53
HTR2A P28223 2/20 0.53
HTR7 P34969 2/20 0.53
HTR6 P50406 2/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 1/20 0.50
USP2 O75604 1/20 0.49
HIF1A Q16665 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL2384276 0.90 HRH4 (0.55) CYP1A2ALOX15ALDH1A1HSD17B10HRH4
SCHEMBL2384160 0.81 HRH4 (0.68) HRH4MEN1KMT2AHIF1AGLA
SCHEMBL2385040 0.79 HRH4 (0.66) CYP1A2ALOX15ALDH1A1HSD17B10HRH4
SCHEMBL2385008 0.79 HRH4 (0.66) CYP1A2ALOX15ALDH1A1HSD17B10HRH4
SCHEMBL2385795 0.78 HRH4 (0.64) ALDH1A1HRH4MEN1KMT2AGLA
SCHEMBL2385977 0.78 HRH4 (0.64) HRH4MEN1KMT2AGLAGAA
SCHEMBL2384348 0.77 HRH4 (1.00) HRH4DRD2HTR6MEN1KMT2A
SCHEMBL2383225 0.76 HRH4 (0.61) HRH4MEN1KMT2AGLAGAA
SCHEMBL2385751 0.76 HRH4 (0.61) HRH4HTR6MEN1KMT2AGLA
SCHEMBL2385715 0.76 HRH4 (0.61) CYP1A2ALOX15ALDH1A1HSD17B10HRH4

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 CYP1A2 2697/4885ALOX15 2860/4885ALDH1A1 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.