SCHEMBL2890336

SCHEMBL2890336

CN(C)C1CCN(C(=O)c2ccc(NC(=O)c3cc4ccccc4n3C)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.55
HRH3 Q9Y5N1 6/20 0.49
MCHR1 Q99705 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.46
ROCK1 Q13464 2/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
CHRNA7 P36544 1/20 0.45
PDK2 Q15119 1/20 0.44
JAK2 O60674 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3C2B O00750 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CG P48736 1/20 0.44
PIK3C3 Q8NEB9 1/20 0.44

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
SCHEMBL2885651 0.83 ATR (0.57) ATRHRH3MCHR1L3MBTL3PDK2
SCHEMBL2885719 0.79 ATR (0.55) ATRHRH3MCHR1L3MBTL3JAK2
SCHEMBL2889859 0.79 IKBKB (0.54) ATRHRH3MCHR1L3MBTL3CHRNA7
SCHEMBL2889406 0.79 MCHR1 (0.73) ATRHRH3MCHR1L3MBTL3
SCHEMBL2890112 0.78 ATR (0.56) ATRHRH3MCHR1L3MBTL3ALDH1A1
SCHEMBL3858062 0.77 MAOA (0.58) ATR
SCHEMBL1812524 0.77 HRH3 (0.55) ATRHRH3L3MBTL3PDK2JAK2
SCHEMBL2889902 0.76 ATR (0.61) ATRHRH3MCHR1L3MBTL3JAK2
SCHEMBL2886450 0.76 MCHR1 (0.58) ATRMCHR1L3MBTL3ALDH1A1HTT
SCHEMBL1812972 0.75 HRH3 (0.56) ATRHRH3L3MBTL3PDK2JAK2

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
EP-2027086-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth (US) 2009-02-25 EP claimed
WO-2007136668-A9 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH CORP (US) 2008-03-27 WO claimed
WO-2007136668-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-11-29 WO claimed
US-20070270440-A1 N-benzoyl- and N-benzylpyrrolidin-3-ylamines as histamine-3 antagonists WYETH (US) 2007-11-22 US claimed
US-7842715-B2 N-benzoyl- and N-benzylpyrrolidin-3-ylamines as histamine-3 antagonists WYETH LLC (US) 2010-11-30 US disclosed
EP-2027086-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth (US) 2009-02-25 EP disclosed
WO-2007136668-A9 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH CORP (US) 2008-03-27 WO disclosed
WO-2007136668-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-11-29 WO disclosed
US-20070270440-A1 N-benzoyl- and N-benzylpyrrolidin-3-ylamines as histamine-3 antagonists WYETH (US) 2007-11-22 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-20070270440-A1 N-benzoyl- and N-benzylpyrrolidin-3-ylamines as histamine-3 antagonists HRH4, HRH3, HRH2 ATR 4689/4885HRH3 2/4885MCHR1 184/4885

“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.