SCHEMBL1810496

SCHEMBL1810496

COc1ccc2c(ccn2-c2ccc(C(=O)N3CC[C@H](N4CCCC4)C3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.56
L3MBTL3 Q96JM7 8/20 0.54
L3MBTL1 Q9Y468 7/20 0.54
MGLL Q99685 4/20 0.52
MBTD1 Q05BQ5 5/20 0.47
TP53BP1 Q12888 2/20 0.47
L3MBTL4 Q8NA19 2/20 0.47
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1809657 0.85 MGLL (0.64) HRH3L3MBTL3L3MBTL1MGLLMBTD1
SCHEMBL1812564 0.85 L3MBTL3 (0.57) HRH3L3MBTL3L3MBTL1MGLLMBTD1
SCHEMBL12625739 0.83 L3MBTL3 (0.55) HRH3L3MBTL3L3MBTL1MGLLMBTD1
SCHEMBL1811112 0.83 L3MBTL3 (0.47) HRH3L3MBTL3MGLLALDH1A1SMN1; SMN2
SCHEMBL1812903 0.83 MGLL (0.66) HRH3L3MBTL3L3MBTL1MGLLMBTD1
SCHEMBL1812779 0.83 MGLL (0.66) HRH3L3MBTL3L3MBTL1MGLLMBTD1
SCHEMBL1811533 0.83 HRH3 (0.69) HRH3L3MBTL3L3MBTL1MGLLMBTD1
Hydrochloric Acid SCHEMBL1812470 0.82 HRH3 (0.68) HRH3L3MBTL3L3MBTL1MGLLMBTD1
SCHEMBL3844265 0.79 L3MBTL3 (0.69) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL1735969 0.79 L3MBTL3 (0.69) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4

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 8 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 claimed
US-20080119458-A1 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-05-22 US claimed
US-7935719-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2011-05-03 US disclosed
US-7935719-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2011-05-03 US disclosed
US-7935719-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2011-05-03 US disclosed
US-20080119458-A1 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-05-22 US disclosed
US-20080119458-A1 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-05-22 US disclosed
US-20080119458-A1 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-05-22 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-20080119458-A1 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS HNMT, HRH4, HRH3 HRH3 3/4885L3MBTL3 2875/4885L3MBTL1 4246/4885

“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.