SCHEMBL2885085

SCHEMBL2885085

Fc1ccc2ncn(Cc3ccc(CN4CC[C@H](N5CCCC5)C4)cc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.52
QPCT Q16769 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CDK9 P50750 3/20 0.41
GRM2 Q14416 1/20 0.41
MAP4K4 O95819 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2879067 0.92 HRH3 (0.52) HRH3QPCTALDH1A1GRM2L3MBTL3
SCHEMBL2884865 0.84 HRH3 (0.69) HRH3
SCHEMBL13085875 0.84 HRH3 (0.69) HRH3
Hydrochloric Acid SCHEMBL2884735 0.84 HRH3 (0.68) HRH3
SCHEMBL2879070 0.83 HRH3 (0.76) HRH3ALDH1A1L3MBTL3L3MBTL1
SCHEMBL4765961 0.82 HRH3 (0.48) HRH3QPCTALDH1A1L3MBTL3L3MBTL1
SCHEMBL2883883 0.81 HRH3 (0.52) HRH3QPCTCDK9GRM2MAP4K4
SCHEMBL2884152 0.78 HRH3 (0.48) HRH3L3MBTL3L3MBTL1
SCHEMBL2883537 0.77 HRH3 (0.57) HRH3
SCHEMBL2882039 0.77 ALDH1A1 (0.42) HRH3QPCTALDH1A1

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-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US claimed
EP-1994022-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-11-26 EP claimed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 WO claimed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 US claimed
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 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-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists HNMT, HRH4, HRH3 HRH3 3/4885QPCT 1604/4885ALDH1A1 1351/4885

“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.