SCHEMBL1813650

SCHEMBL1813650

CN(C)C1CCN(Cc2cccc(-n3cnc4ccccc43)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
FGFR1 P11362 5/20 0.46
PIK3CD O00329 1/20 0.45
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
HSF1 Q00613 1/20 0.43
NSD2 O96028 1/20 0.42
HTT P42858 1/20 0.42
LTA4H P09960 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MITF O75030 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
LCK P06239 1/20 0.40
MAP4K4 O95819 2/20 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
SCHEMBL2881480 0.85 HRH3 (0.60) HRH3NSD2HTTALDH1A1CYP11B1
SCHEMBL1816517 0.77 HRH3 (0.42) HRH3FGFR1PIK3CDNSD2LTA4H
SCHEMBL1814410 0.76 GRM2 (0.45) HRH3LTA4HALDH1A1MAP4K4
SCHEMBL1811328 0.76 HRH3 (0.62) HRH3
SCHEMBL1814829 0.76 MAP4K4 (0.47) HRH3LTA4HATMMAP4K4
SCHEMBL2886689 0.76 HRH3 (0.57) HRH3NSD2HTTLTA4HALDH1A1
SCHEMBL13024536 0.74 LTA4H (0.60) LTA4HALDH1A1
SCHEMBL1911332 0.74 LTA4H (0.60) LTA4HALDH1A1
SCHEMBL13634431 0.74 LTA4H (0.60) LTA4HALDH1A1
SCHEMBL4942172 0.71 MKNK1 (0.50) FGFR1HTTLTA4HKDM4EALDH1A1

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 HRH3 3/4885FGFR1 2424/4885PIK3CD 3310/4885

“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.