SCHEMBL2889563

SCHEMBL2889563

CN(C)C1CCN(C(=O)c2ccc(Nc3nccc4ccccc34)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.53
CHUK O15111 1/20 0.53
IKBKG Q9Y6K9 1/20 0.53
CDK1 P06493 3/20 0.50
CDK2 P24941 3/20 0.50
ATR Q13535 3/20 0.49
HRH3 Q9Y5N1 6/20 0.48
L3MBTL3 Q96JM7 1/20 0.47
VNN1 O95497 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 4/20 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
SCHEMBL2889902 0.85 ATR (0.61) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL2882904 0.81 IKBKB (0.57) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL2887131 0.81 ABCG2 (0.57) HRH3
SCHEMBL2882230 0.81 VNN1 (0.53) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL2885719 0.78 ATR (0.55) ATRHRH3L3MBTL3JAK2
SCHEMBL2881626 0.78 HRH3 (0.50) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL2888158 0.75 L3MBTL3 (0.48) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL16363349 0.74 PRMT1 (0.49) CDK1CDK2ATRHRH3
SCHEMBL10293555 0.74 L3MBTL3 (0.69) ATRHRH3L3MBTL3
SCHEMBL10293598 0.74 L3MBTL3 (0.69) ATRHRH3L3MBTL3

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 6 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
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 IKBKB 1029/4885CHUK 331/4885IKBKG 1736/4885

“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.