SCHEMBL2888136

SCHEMBL2888136

COc1cccc2cc(C(=O)Nc3ccc(C(=O)N4CCC(N(C)C)C4)cc3)oc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.54
MAPT P10636 4/20 0.48
KDM4E B2RXH2 2/20 0.48
ATR Q13535 2/20 0.47
HTR3A P46098 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
MMP2 P08253 1/20 0.46
MMP14 P50281 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43

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 0.77 ATR (0.57) MAPTKDM4EATRNPC1RAB9A
SCHEMBL2882715 0.77 ATR (0.53) ATR
SCHEMBL2885719 0.75 ATR (0.55) ATRNPC1RAB9AKMT2AMEN1
SCHEMBL6837523 0.75 MAPT (0.67) CHRNA7MAPTKDM4EPTGDR2MMP2
SCHEMBL2889859 0.75 IKBKB (0.54) CHRNA7ATRHTR3ATP53
SCHEMBL6833294 0.75 RAB9A (0.66) CHRNA7MAPTKDM4EPTGDR2MMP2
SCHEMBL3858062 0.74 MAOA (0.58) ATR
SCHEMBL6839269 0.74 LMNA (0.60) CHRNA7MAPTKDM4EPTGDR2MMP2
SCHEMBL2890336 0.73 ATR (0.55) CHRNA7ATRALDH1A1HTT
SCHEMBL2889406 0.72 MCHR1 (0.73) 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 8 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-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 CHRNA7 63/4885MAPT 1157/4885KDM4E 1644/4885

“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.