SCHEMBL2889902

SCHEMBL2889902

CN(C)C1CCN(C(=O)c2ccc(NC(=O)c3nccc4ccccc34)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.61
TP53 P04637 2/20 0.48
IKBKB O14920 1/20 0.47
CHUK O15111 1/20 0.47
IKBKG Q9Y6K9 1/20 0.47
HRH3 Q9Y5N1 6/20 0.47
MCHR1 Q99705 2/20 0.46
FLT3 P36888 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
JAK2 O60674 1/20 0.45
PIK3CD O00329 1/20 0.45
PIK3C2B O00750 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
MTOR P42345 1/20 0.45
PIK3CG P48736 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
CDK1 P06493 1/20 0.45

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
SCHEMBL2889563 0.85 IKBKB (0.53) ATRIKBKBCHUKIKBKGHRH3
SCHEMBL2885719 0.84 ATR (0.55) ATRHRH3MCHR1L3MBTL3JAK2
SCHEMBL2885651 0.80 ATR (0.57) ATRHRH3MCHR1L3MBTL3JAK2
SCHEMBL2890112 0.79 ATR (0.56) ATRHRH3MCHR1L3MBTL3JAK2
SCHEMBL2889406 0.78 MCHR1 (0.73) ATRHRH3MCHR1L3MBTL3
SCHEMBL2882715 0.76 ATR (0.53) ATRHRH3MCHR1
SCHEMBL2890336 0.76 ATR (0.55) ATRHRH3MCHR1L3MBTL3JAK2
SCHEMBL2889859 0.76 IKBKB (0.54) ATRTP53IKBKBCHUKIKBKG
SCHEMBL13138597 0.76 ATR (1.00) ATR
SCHEMBL2486916 0.76 ATR (1.00) ATR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 4689/4885TP53 4883/4885IKBKB 1029/4885

“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.