SCHEMBL2385659

SCHEMBL2385659

CN1CCN(c2ncnc(-c3cccc4ccccc34)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.56
HTR3A P46098 3/20 0.50
ACHE P22303 1/20 0.49
CYP1A2 P05177 3/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTR6 P50406 2/20 0.45
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 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
SCHEMBL2387088 0.80 HRH4 (0.61) HRH4HTR3AACHECYP1A2ALOX15
SCHEMBL2385570 0.79 HRH4 (0.51) HRH4HTR3AACHE
SCHEMBL2382683 0.78 HRH4 (0.76) HRH4HTR3AACHECYP1A2CYP2C19
SCHEMBL15817202 0.77 PI4KA (0.45) CYP1A2ALDH1A1HSD17B10
SCHEMBL2384690 0.75 HRH4 (0.76) HRH4HTR3ACYP1A2CYP2C19HTR6
SCHEMBL2384612 0.75 HRH4 (0.67) HRH4HTR3AHTR6HTR1AHTR2A
SCHEMBL2385746 0.75 HRH4 (0.63) HRH4HTR3ACYP1A2CYP2C19ALDH1A1
SCHEMBL2385686 0.74 HRH4 (0.58) HRH4HTR3AACHEALDH1A1
SCHEMBL4059761 0.74 HRH4 (0.58) HRH4HTR3ACYP1A2CYP2C19HTR6
SCHEMBL6862126 0.74 HRH4 (0.49) HRH4HTR3AACHECYP1A2ALOX15

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 1/4885HTR3A 14/4885ACHE 1303/4885

“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.