SCHEMBL2879067

SCHEMBL2879067

Fc1ccc2c(c1)ncn2Cc1ccc(CN2CC[C@H](N3CCCC3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.52
ALDH1A1 P00352 2/20 0.46
QPCT Q16769 1/20 0.42
QPCTL Q9NXS2 1/20 0.42
GRM2 Q14416 1/20 0.41
PRPS1 P60891 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
SCHEMBL2885085 0.92 HRH3 (0.52) HRH3ALDH1A1QPCTGRM2L3MBTL3
SCHEMBL4765961 0.90 HRH3 (0.48) HRH3ALDH1A1QPCTQPCTLPRPS1
SCHEMBL2882039 0.85 ALDH1A1 (0.42) HRH3ALDH1A1QPCTQPCTLPRPS1
SCHEMBL13085875 0.84 HRH3 (0.69) HRH3
SCHEMBL2884865 0.84 HRH3 (0.69) HRH3
Hydrochloric Acid SCHEMBL2884735 0.84 HRH3 (0.68) HRH3
SCHEMBL2883568 0.83 HRH3 (0.76) HRH3ALDH1A1L3MBTL3L3MBTL1
SCHEMBL2881996 0.83 HRH3 (0.76) HRH3ALDH1A1L3MBTL3L3MBTL1
SCHEMBL2886675 0.81 HRH3 (0.52) HRH3ALDH1A1QPCTQPCTLGRM2
SCHEMBL2884152 0.78 HRH3 (0.48) HRH3L3MBTL3L3MBTL1

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 3/4885ALDH1A1 1351/4885QPCT 1604/4885

“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.