SCHEMBL1735977

SCHEMBL1735977

O=C(c1ccc(Oc2cccc(Oc3cccc(F)c3)c2)cc1)N1CC[C@H](N2CCCC2)C1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 9/20 0.59
L3MBTL3 Q96JM7 9/20 0.59
TDP1 Q9NUW8 1/20 0.55
HRH3 Q9Y5N1 5/20 0.55
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 1/20 0.54
KCNH2 Q12809 1/20 0.54
PARP10 Q53GL7 4/20 0.53
PARP14 Q460N5 3/20 0.52
MBTD1 Q05BQ5 5/20 0.52
TP53BP1 Q12888 1/20 0.51
L3MBTL4 Q8NA19 1/20 0.51
SLC6A4 P31645 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50

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
SCHEMBL3843544 1.00 L3MBTL1 (0.59) L3MBTL1L3MBTL3TDP1HRH3KDM4E
SCHEMBL1736227 0.99 L3MBTL1 (0.60) L3MBTL1L3MBTL3TDP1HRH3KDM4E
SCHEMBL3846302 0.99 L3MBTL1 (0.60) L3MBTL1L3MBTL3TDP1HRH3KDM4E
SCHEMBL3882975 0.88 L3MBTL3 (0.60) L3MBTL1L3MBTL3TDP1HRH3KDM4E
SCHEMBL1735972 0.88 L3MBTL3 (0.60) L3MBTL1L3MBTL3TDP1HRH3KDM4E
SCHEMBL1735976 0.88 L3MBTL1 (0.70) L3MBTL1L3MBTL3HRH3KDM4EMEN1
SCHEMBL3862100 0.88 L3MBTL1 (0.70) L3MBTL1L3MBTL3HRH3KDM4EMEN1
SCHEMBL3846297 0.88 L3MBTL1 (0.70) L3MBTL1L3MBTL3HRH3KDM4EMEN1
SCHEMBL1735966 0.88 L3MBTL1 (0.70) L3MBTL1L3MBTL3HRH3KDM4EMEN1
SCHEMBL1735125 0.86 L3MBTL3 (0.71) L3MBTL1L3MBTL3HRH3MEN1KMT2A

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-B1 N-BENZOYL-PYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH LLC (US) 2011-11-16 EP claimed
WO-2011131464-A1 LOW IGNITION PROPENSITY SMOKING ARTICLE AND AN APPARATUS AND METHOD FOR FORMING A LOW IGNITION PROPENSITY SMOKING ARTICLE BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2011-10-27 WO claimed
US-7842715-B2 N-benzoyl- and N-benzylpyrrolidin-3-ylamines as histamine-3 antagonists WYETH LLC (US) 2010-11-30 US claimed
US-20070270440-A1 N-benzoyl- and N-benzylpyrrolidin-3-ylamines as histamine-3 antagonists WYETH (US) 2007-11-22 US claimed
EP-2027086-B1 N-BENZOYL-PYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH LLC (US) 2011-11-16 EP disclosed
WO-2011131464-A1 LOW IGNITION PROPENSITY SMOKING ARTICLE AND AN APPARATUS AND METHOD FOR FORMING A LOW IGNITION PROPENSITY SMOKING ARTICLE BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2011-10-27 WO disclosed
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 L3MBTL1 3689/4885L3MBTL3 2436/4885TDP1 4190/4885

“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.