SCHEMBL2889859

SCHEMBL2889859

CN(C)C1CCN(C(=O)c2ccc(NC(=O)c3cc4ccccc4s3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.54
CHUK O15111 1/20 0.54
IKBKG Q9Y6K9 1/20 0.54
ATR Q13535 3/20 0.53
CHRNA7 P36544 3/20 0.48
HTR3A P46098 2/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
MCHR1 Q99705 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
TP53 P04637 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
PDK2 Q15119 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) ATRMCHR1L3MBTL3HRH3PDK2
SCHEMBL2887653 0.80 ATR (0.51) ATRMCHR1L3MBTL3HRH3JAK2
SCHEMBL2886338 0.79 MAPT (0.55) TP53
SCHEMBL2885719 0.79 ATR (0.55) ATRMCHR1L3MBTL3HRH3JAK2
SCHEMBL2890336 0.79 ATR (0.55) ATRCHRNA7MCHR1L3MBTL3HRH3
SCHEMBL2889406 0.79 MCHR1 (0.73) ATRMCHR1L3MBTL3HRH3
SCHEMBL2890112 0.78 ATR (0.56) ATRMCHR1L3MBTL3HRH3JAK2
SCHEMBL13054117 0.77 MCHR1 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL3858062 0.77 MAOA (0.58) ATR
SCHEMBL2889902 0.76 ATR (0.61) IKBKBCHUKIKBKGATRMCHR1

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 5 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-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.