SCHEMBL2887653

SCHEMBL2887653

CN(C)C1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)s3)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.51
L3MBTL3 Q96JM7 2/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MCHR1 Q99705 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
JAK2 O60674 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
NFKB1 P19838 1/20 0.42
CASP3 P42574 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 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
SCHEMBL2889859 0.80 IKBKB (0.54) ATRL3MBTL3MCHR1JAK2PIK3CD
SCHEMBL24185235 0.78 L3MBTL3 (0.71) L3MBTL3KMT2AMCHR1L3MBTL1JAK2
SCHEMBL2887400 0.78 L3MBTL3 (0.71) L3MBTL3KMT2AMCHR1L3MBTL1JAK2
SCHEMBL24185230 0.78 L3MBTL3 (0.71) L3MBTL3KMT2AMCHR1L3MBTL1JAK2
SCHEMBL2889406 0.78 MCHR1 (0.73) ATRL3MBTL3MCHR1HRH3
SCHEMBL2888035 0.77 L3MBTL3 (0.50) ATRL3MBTL3MCHR1RAB9AL3MBTL1
SCHEMBL2885755 0.76 HDAC3 (0.57) ATRL3MBTL3MCHR1L3MBTL1
SCHEMBL2885651 0.76 ATR (0.57) ATRL3MBTL3MEN1KMT2AMAPT
SCHEMBL2886450 0.75 MCHR1 (0.58) ATRL3MBTL3MEN1KMT2AMAPT
SCHEMBL2886338 0.75 MAPT (0.55) MAPTRAB9ANPC1SMN1; SMN2

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
WO-2007136668-A9 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH CORP (US) 2008-03-27 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
WO-2007136668-A9 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH CORP (US) 2008-03-27 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 4689/4885L3MBTL3 2436/4885MEN1 1095/4885

“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.