SCHEMBL1813613

SCHEMBL1813613

COc1ccc2c(c1)cc(-c1ccccc1)n2-c1ccc(C(=O)N2CCC(N(C)C)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.48
JAK2 O60674 2/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HIF1A Q16665 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.42
ATR Q13535 2/20 0.42
MALT1 Q9UDY8 1/20 0.42
TLR9 Q9NR96 2/20 0.41
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
PDK2 Q15119 1/20 0.41

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
SCHEMBL1814566 0.88 HRH3 (0.55) HRH3JAK2L3MBTL3ATRMALT1
SCHEMBL2887035 0.85 HRH3 (0.61) HRH3
SCHEMBL1811112 0.80 L3MBTL3 (0.47) HRH3JAK2JAK1TYK2JAK3
SCHEMBL1812972 0.75 HRH3 (0.56) HRH3JAK2L3MBTL3ATRMALT1
SCHEMBL2878928 0.75 HRH3 (0.56) HRH3JAK2JAK1TYK2JAK3
SCHEMBL1811086 0.74 HRH3 (0.72) HRH3ATR
SCHEMBL1810394 0.74 HRH3 (0.72) HRH3ATR
SCHEMBL1814327 0.74 HRH3 (0.72) HRH3ATR
SCHEMBL11813837 0.73 GRIK1 (0.56) HPGDALDH1A1LMNA
SCHEMBL2885713 0.73 HRH3 (0.70) HRH3JAK2L3MBTL3ATRPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935719-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2011-05-03 US disclosed
EP-2074088-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth (US) 2009-07-01 EP disclosed
US-20080119458-A1 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-05-22 US disclosed
WO-2008045371-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-04-17 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-20080119458-A1 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS HNMT, HRH4, HRH3 HRH3 3/4885JAK2 1982/4885JAK1 2018/4885

“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.