SCHEMBL1812922

SCHEMBL1812922

CN(C)C1CCN(C(=O)c2ccc(-n3cnc4ccc(F)cc43)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.55
HPGD P15428 6/20 0.48
L3MBTL3 Q96JM7 1/20 0.47
VNN1 O95497 1/20 0.45
HTR7 P34969 1/20 0.44
PDE5A O76074 1/20 0.44
MGLL Q99685 2/20 0.43
PDK2 Q15119 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL1812540 0.92 HPGD (0.55) HRH3HPGDL3MBTL3MGLL
SCHEMBL1809553 0.89 HRH3 (0.56) HRH3HPGDL3MBTL3
SCHEMBL1809750 0.86 HRH3 (0.70) HRH3HPGDL3MBTL3
SCHEMBL2884328 0.84 HRH3 (0.76) HRH3L3MBTL3VNN1PDE5A
SCHEMBL1812791 0.81 HRH3 (0.54) HRH3HPGDL3MBTL3PDK2
SCHEMBL1812900 0.80 MGLL (0.54) HRH3L3MBTL3VNN1HTR7MGLL
SCHEMBL2879391 0.78 HRH3 (0.76) HRH3L3MBTL3VNN1PDE5A
SCHEMBL1814829 0.78 MAP4K4 (0.47) HRH3ATM
SCHEMBL1811328 0.78 HRH3 (0.62) HRH3HPGD
SCHEMBL1812407 0.74 MGLL (0.57) HRH3HPGDL3MBTL3MGLL

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 2 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-20080119458-A1 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-05-22 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-20080119458-A1 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS HNMT, HRH4, HRH3 HRH3 3/4885HPGD 629/4885L3MBTL3 2875/4885

“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.