SCHEMBL1815887

SCHEMBL1815887

O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CC[C@@H](O)C1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.64
FGFR1 P11362 2/20 0.53
HRH3 Q9Y5N1 4/20 0.50
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
HTT P42858 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
SCHEMBL1809750 0.84 HRH3 (0.70) HPGDFGFR1HRH3PDE4APDE4B
SCHEMBL1814276 0.84 HRH3 (0.70) HPGDHRH3
SCHEMBL1813717 0.84 HRH3 (0.70) HPGDHRH3
SCHEMBL1811901 0.84 HRH3 (0.69) HPGDHRH3
Hydrochloric Acid SCHEMBL1811397 0.84 HRH3 (0.69) HPGDHRH3
SCHEMBL1810015 0.84 HRH3 (0.69) HPGDHRH3
SCHEMBL1812402 0.83 FGFR1 (0.51) HPGDFGFR1HRH3PDE4APDE4B
SCHEMBL1812400 0.83 FGFR1 (0.51) HPGDFGFR1HRH3PDE4APDE4B
SCHEMBL1814397 0.82 HRH3 (0.59) HPGDFGFR1HRH3PDE4APDE4B
SCHEMBL1816825 0.82 HRH3 (0.59) HPGDFGFR1HRH3

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 9 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
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
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
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
WO-2008045371-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-04-17 WO 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 HPGD 629/4885FGFR1 2424/4885HRH3 3/4885

“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.