SCHEMBL1735972

SCHEMBL1735972

COc1cccc(Oc2ccc(C(=O)N3CC[C@H](N4CCCC4)C3)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 11/20 0.60
L3MBTL1 Q9Y468 10/20 0.60
POLB P06746 1/20 0.53
MBTD1 Q05BQ5 5/20 0.53
TP53BP1 Q12888 1/20 0.52
L3MBTL4 Q8NA19 1/20 0.52
HRH3 Q9Y5N1 2/20 0.52
SLC6A4 P31645 1/20 0.52
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PARP14 Q460N5 1/20 0.50
PARP10 Q53GL7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
HIF1A Q16665 1/20 0.49

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
SCHEMBL3882975 1.00 L3MBTL3 (0.60) L3MBTL3L3MBTL1POLBMBTD1TP53BP1
SCHEMBL3844265 0.91 L3MBTL3 (0.69) L3MBTL3L3MBTL1POLBMBTD1TP53BP1
SCHEMBL1735969 0.91 L3MBTL3 (0.69) L3MBTL3L3MBTL1POLBMBTD1TP53BP1
SCHEMBL3843527 0.89 L3MBTL3 (0.60) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL1736193 0.89 L3MBTL3 (0.60) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL3843544 0.88 L3MBTL1 (0.59) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
Hydrochloric Acid SCHEMBL1736213 0.88 L3MBTL3 (0.59) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL1735977 0.88 L3MBTL1 (0.59) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL1735125 0.87 L3MBTL3 (0.71) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL3841287 0.87 L3MBTL3 (0.71) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4

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
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
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 L3MBTL3 2436/4885L3MBTL1 3689/4885POLB 4853/4885

“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.