SCHEMBL2882034

SCHEMBL2882034

O=C(c1ccc(Cn2c(-c3ccccc3)nc3ccccc32)cc1)N1CCC(O)C1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.76
PDE6D O43924 3/20 0.55
ALDH1A1 P00352 2/20 0.55
ALDH2 P05091 1/20 0.55
ALDH3A1 P30838 1/20 0.55
TP53 P04637 1/20 0.54
DRD2 P14416 1/20 0.51
TBXA2R P21731 1/20 0.51
HTR2B P41595 1/20 0.49
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL14420733 0.89 HRH3 (0.78) HRH3PDE6DALDH1A1ALDH2ALDH3A1
SCHEMBL2885885 0.87 HRH3 (1.00) HRH3PDE6DALDH1A1ALDH2ALDH3A1
SCHEMBL2881658 0.87 HRH3 (1.00) HRH3PDE6DALDH1A1ALDH2ALDH3A1
SCHEMBL2878779 0.87 HRH3 (1.00) HRH3PDE6DALDH1A1ALDH2ALDH3A1
SCHEMBL2884742 0.87 HRH3 (1.00) HRH3
SCHEMBL2886284 0.85 HRH3 (0.72) HRH3PDE6DALDH1A1ALDH2ALDH3A1
SCHEMBL2886424 0.84 HRH3 (1.00) HRH3PDE6DALDH1A1ALDH2ALDH3A1
SCHEMBL2884309 0.79 ALDH1A1 (0.74) HRH3PDE6DALDH1A1ALDH2ALDH3A1
SCHEMBL13085918 0.77 HRH3 (0.74) HRH3
SCHEMBL13085756 0.77 HRH3 (0.74) HRH3

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-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
EP-1994022-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-11-26 EP disclosed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 WO disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 US disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 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 3/4885PDE6D 4003/4885ALDH1A1 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.