SCHEMBL493685

SCHEMBL493685

CN(C)C(=O)C1CCN(C2CNC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.40
CYP2D6 P10635 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
CYP46A1 Q9Y6A2 8/20 0.34
BCHE P06276 1/20 0.34
PDE7A Q13946 1/20 0.33
CHRM1 P11229 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GLI1 P08151 1/20 0.33
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32

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
Water SCHEMBL4263884 0.97 DPP4 (0.38) DPP4CYP2D6IRAK4CYP46A1BCHE
Water SCHEMBL4263881 0.97 DPP4 (0.38) DPP4CYP2D6IRAK4CYP46A1BCHE
SCHEMBL13874362 0.81 KDM2B (0.39) DPP4IRAK4BCHEPDE7ACHRM1
SCHEMBL14097319 0.80 POLB (0.41) DPP4IRAK4BCHECHRM1HSD17B10
SCHEMBL22359043 0.79 CHRNB2 (0.35) CHRM1MEN1KMT2A
SCHEMBL493474 0.76 CHRM1 (0.49) CYP2D6CHRM1MEN1KMT2ASMN1; SMN2
SCHEMBL13874370 0.74 L3MBTL3 (0.42) DPP4BCHE
Hydrochloric Acid SCHEMBL493704 0.74 CHRM1 (0.47) CYP2D6CHRM1MEN1KMT2ASMN1; SMN2
SCHEMBL2240640 0.74
SCHEMBL26694632 0.74 BCHE (0.39) DPP4IRAK4BCHEPDE7ACHRM1

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 13 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
US-8106208-B2 Benzamide compounds that act as NK receptor antagonists ALBIREO AB (SE) 2012-01-31 US disclosed
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
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
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
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
US-20070270398-A1 New Compounds III ALBIREO AB (SE) 2007-11-22 US 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 DPP4 1087/4885CYP2D6 93/4885IRAK4 4200/4885

“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.