SCHEMBL2386699

SCHEMBL2386699

CN1CCN(c2ncnc(-c3ccc(Cl)cc3)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 1.00
HRH3 Q9Y5N1 2/20 0.64
HTR6 P50406 1/20 0.64
HTR3A P46098 2/20 0.51
USP2 O75604 4/20 0.50
ALDH1A1 P00352 4/20 0.50
CASP1 P29466 4/20 0.50
CASP7 P55210 4/20 0.50
CYP1A2 P05177 3/20 0.50
GLA P06280 3/20 0.50
HIF1A Q16665 3/20 0.50
HSD17B10 Q99714 3/20 0.50
CYP3A4 P08684 2/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADORA1 P30542 1/20 0.50
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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 0.87 HRH4 (0.76) HRH4HRH3HTR6HTR3AUSP2
SCHEMBL2384326 0.87 HRH4 (0.76) HRH4HRH3HTR6HTR3AALDH1A1
SCHEMBL2382683 0.86 HRH4 (0.76) HRH4HTR3AUSP2ALDH1A1CASP1
SCHEMBL2384308 0.85 HRH4 (0.74) HRH4HRH3HTR6HTR3AUSP2
SCHEMBL2384436 0.85 HRH4 (0.74) HRH4HRH3HTR6HTR3AUSP2
SCHEMBL2386813 0.85 HRH4 (0.73) HRH4HRH3HTR6HTR3AUSP2
SCHEMBL2384955 0.85 HRH4 (0.73) HRH4HRH3HTR6HTR3AUSP2
SCHEMBL2381880 0.84 HRH4 (0.72) HRH4HRH3HTR6HTR3AALDH1A1
SCHEMBL2385877 0.82 HRH4 (0.69) HRH4HRH3HTR6HTR3AMAPK1
SCHEMBL2384612 0.80 HRH4 (0.67) HRH4HTR6HTR3A

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 1/4885HRH3 2/4885HTR6 25/4885

“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.