SCHEMBL3240680

SCHEMBL3240680

Nc1nc(Cl)c2c(n1)CC(c1ccccn1)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
HSD11B1 P28845 1/20 0.34
DRD4 P21917 2/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL3233963 0.85 ACHE (0.35) ACHEOPRM1OPRD1OPRK1OPRL1
SCHEMBL3241055 0.81 HSP90AA1 (0.48) ACHEALDH1A1MAPTHSP90AA1HSP90AB1
SCHEMBL3237075 0.79 ADRA1A (0.47) ACHEHSP90AA1HSP90AB1HRH4HRH3
SCHEMBL603491 0.77 HRH4 (0.47) HRH4HRH3
SCHEMBL604681 0.77 HRH4 (0.47) HRH4HRH3
SCHEMBL607163 0.74 HRH4 (0.46) HRH4HRH3MAP4K4
SCHEMBL3236762 0.74 HRH3 (0.36) KDM4EL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL3241105 0.73 MAPT (0.34) ACHEALDH1A1MAPTHSP90AA1HSP90AB1
SCHEMBL26246310 0.71 MAPT (0.52) ALDH1A1MAPT
SCHEMBL1721248 0.70 DDB1 (0.47) OPRM1OPRD1OPRK1OPRL1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298289-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2010-11-25 US claimed
EP-2209775-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB Pharma, S.A. (BE) 2010-07-28 EP claimed
WO-2009047255-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2009-04-16 WO claimed
US-20100298289-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2010-11-25 US disclosed
EP-2209775-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB Pharma, S.A. (BE) 2010-07-28 EP disclosed
WO-2009047255-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2009-04-16 WO 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-20100298289-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS HRH4, HRH2, HRH3 ACHE 1188/4885OPRM1 69/4885OPRD1 152/4885

“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.