SCHEMBL493703

SCHEMBL493703

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
OPRD1 P41143 4/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
SLC6A9 P48067 1/20 0.42
CCR5 P51681 3/20 0.42
CYP46A1 Q9Y6A2 1/20 0.41
CYP2D6 P10635 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNA1C Q13936 1/20 0.40
MAOB P27338 1/20 0.39

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 0.96 ALDH1A1 (0.43) ALDH1A1L3MBTL3L3MBTL1OPRD1KMT2A
SCHEMBL493687 0.85 L3MBTL1 (0.51) ALDH1A1L3MBTL3L3MBTL1OPRD1KMT2A
SCHEMBL4175324 0.83 KMT2A (0.49) ALDH1A1OPRD1KMT2AMEN1POLB
SCHEMBL493492 0.83 TDP1 (0.52) ALDH1A1L3MBTL3L3MBTL1OPRD1KMT2A
SCHEMBL5071337 0.82 CCR5 (0.46) ALDH1A1L3MBTL3L3MBTL1OPRD1KMT2A
SCHEMBL16822513 0.80 L3MBTL3 (0.51) ALDH1A1L3MBTL3L3MBTL1OPRD1KMT2A
SCHEMBL493765 0.80 ALDH1A1 (0.63) ALDH1A1L3MBTL3L3MBTL1KMT2AMEN1
SCHEMBL17888513 0.79 KDM4E (0.59) ALDH1A1KMT2AMEN1CACNA2D1CACNB1
SCHEMBL2430876 0.79 L3MBTL3 (0.48) ALDH1A1L3MBTL3L3MBTL1OPRD1KMT2A
SCHEMBL4261834 0.78 L3MBTL3 (0.55) ALDH1A1L3MBTL3L3MBTL1OPRD1KMT2A

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
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
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
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 ALDH1A1 561/4885L3MBTL3 4877/4885L3MBTL1 4885/4885

“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.