SCHEMBL2381982

SCHEMBL2381982

CN1CCN(c2ncnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.66
SIRT6 Q8N6T7 1/20 0.54
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
MCL1 Q07820 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
WDR5 P61964 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
EIF2AK2 P19525 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
HTR6 P50406 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL2384690 0.81 HRH4 (0.76) HRH4MAPTALDH1A1KMT2APOLB
SCHEMBL2384326 0.81 HRH4 (0.76) HRH4ALDH1A1HRH3HTR6
SCHEMBL2382683 0.81 HRH4 (0.76) HRH4MAPTALDH1A1KMT2APOLB
SCHEMBL2384436 0.80 HRH4 (0.74) HRH4MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL2384308 0.80 HRH4 (0.74) HRH4MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL2386699 0.80 HRH4 (1.00) HRH4LMNAALDH1A1HPGDKMT2A
SCHEMBL2381880 0.78 HRH4 (0.72) HRH4LMNAALDH1A1HRH3HTR6
SCHEMBL2384612 0.75 HRH4 (0.67) HRH4HTR6
SCHEMBL27800064 0.74 MAPK1 (0.56) LMNAMAPTALDH1A1KMT2APOLB
SCHEMBL2384955 0.74 HRH4 (0.73) HRH4LMNAALDH1A1HRH3HTR6

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 1/4885SIRT6 870/4885LMNA 4600/4885

“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.