SCHEMBL1814829

SCHEMBL1814829

CN(C)C1CCN(Cc2ccc(-n3cnc4ccc(F)cc43)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.47
GRM2 Q14416 1/20 0.45
HRH3 Q9Y5N1 1/20 0.41
KCNH2 Q12809 2/20 0.41
CYP2D6 P10635 1/20 0.41
HRH1 P35367 1/20 0.41
LTA4H P09960 1/20 0.40
MELK Q14680 2/20 0.40
ATM Q13315 4/20 0.39
SCN1A P35498 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
CCR3 P51677 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
HDAC1 Q13547 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL1814410 0.92 GRM2 (0.45) MAP4K4GRM2HRH3KCNH2CYP2D6
SCHEMBL1816517 0.89 HRH3 (0.42) MAP4K4GRM2HRH3KCNH2CYP2D6
SCHEMBL2883883 0.88 HRH3 (0.52) MAP4K4GRM2HRH3KCNH2CYP2D6
SCHEMBL2886675 0.81 HRH3 (0.52) MAP4K4GRM2HRH3KCNH2CYP2D6
SCHEMBL1812922 0.78 HRH3 (0.55) HRH3ATM
SCHEMBL1813650 0.76 HRH3 (0.46) MAP4K4HRH3LTA4HATM
SCHEMBL2881324 0.76 HRH3 (0.52) MAP4K4GRM2HRH3KCNH2CYP2D6
SCHEMBL5166411 0.75 GRM2 (0.56) MAP4K4GRM2HRH3KCNH2CYP2D6
SCHEMBL2884328 0.72 HRH3 (0.76) HRH3
SCHEMBL1812540 0.70 HPGD (0.55) 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 4 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
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
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 MAP4K4 2168/4885GRM2 98/4885HRH3 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.