SCHEMBL493687

SCHEMBL493687

O=C(O)C1CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
L3MBTL3 Q96JM7 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
NOTUM Q6P988 2/20 0.45
KMT2A Q03164 2/20 0.44
SLC6A9 P48067 1/20 0.44
OPRD1 P41143 1/20 0.44
MAOB P27338 1/20 0.43
CACNA1A O00555 1/20 0.43
CACNA2D1 P54289 1/20 0.43
CACNB1 Q02641 1/20 0.43
CACNA1C Q13936 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
CCR5 P51681 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL4563012 0.90 ALDH1A1 (0.43) L3MBTL1L3MBTL3ALDH1A1CNR1CNR2
SCHEMBL493492 0.89 TDP1 (0.52) L3MBTL1L3MBTL3ALDH1A1CNR1CNR2
SCHEMBL27615098 0.86 L3MBTL3 (0.52) L3MBTL1L3MBTL3ALDH1A1CNR1CNR2
SCHEMBL493765 0.85 ALDH1A1 (0.63) L3MBTL1L3MBTL3ALDH1A1CNR1CNR2
SCHEMBL493703 0.85 ALDH1A1 (0.46) L3MBTL1L3MBTL3ALDH1A1CNR1CNR2
SCHEMBL18263730 0.84 ALDH1A1 (0.64) L3MBTL1L3MBTL3ALDH1A1CNR1CNR2
SCHEMBL4261834 0.83 L3MBTL3 (0.55) L3MBTL1L3MBTL3ALDH1A1CNR1CNR2
SCHEMBL494586 0.82 ALDH1A1 (0.59) L3MBTL1L3MBTL3ALDH1A1CNR1CNR2
SCHEMBL17888513 0.82 KDM4E (0.59) ALDH1A1KMT2ACACNA1ACACNA2D1CACNB1
SCHEMBL2430876 0.82 L3MBTL3 (0.48) L3MBTL1L3MBTL3ALDH1A1CNR1CNR2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024354-B1 1- [ (4- [BENZOYL (METHYL) AMINO]-3- (PHENYL) BUTYL]AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 ALBIREO AB (SE) 2011-09-21 EP claimed
CN-101472910-A 1- [(4- [benzoyl (methyl) amino] -3- (phenyl) butyl] azetidine derivatives for the treatment of gastrointestinal disorders 1 ASTRAZENECA AB (SE) 2009-07-01 CN claimed
EP-2024354-A1 1- [ (4- [BENZOYL (METHYL) AMINO]-3- (PHENYL) BUTYL]AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 Albireo AB (SE) 2009-02-18 EP claimed
WO-2007136324-A1 1- [ (4- [BENZOYL (METHYL) AMINO] -3- (PHENYL) BUTYL] AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 ALBIREO AB (SE) 2007-11-29 WO claimed
US-20070270398-A1 New Compounds III ALBIREO AB (SE) 2007-11-22 US claimed
US-8106208-B2 Benzamide compounds that act as NK receptor antagonists ALBIREO AB (SE) 2012-01-31 US disclosed
EP-2024354-B1 1- [ (4- [BENZOYL (METHYL) AMINO]-3- (PHENYL) BUTYL]AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 ALBIREO AB (SE) 2011-09-21 EP disclosed
CN-101472910-A 1- [(4- [benzoyl (methyl) amino] -3- (phenyl) butyl] azetidine derivatives for the treatment of gastrointestinal disorders 1 ASTRAZENECA AB (SE) 2009-07-01 CN disclosed
EP-2024354-A1 1- [ (4- [BENZOYL (METHYL) AMINO]-3- (PHENYL) BUTYL]AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 Albireo AB (SE) 2009-02-18 EP disclosed
WO-2007136324-A1 1- [ (4- [BENZOYL (METHYL) AMINO] -3- (PHENYL) BUTYL] AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 ALBIREO AB (SE) 2007-11-29 WO disclosed
US-20070270398-A1 New Compounds III ALBIREO AB (SE) 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-20070270398-A1 New Compounds III CYP11B2, CYP11B1, SDHA L3MBTL1 4885/4885L3MBTL3 4877/4885ALDH1A1 561/4885

“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.