SCHEMBL493733

SCHEMBL493733

O=C(O)N1CCC(C(=O)N2CCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.61
ALDH1A1 P00352 3/20 0.56
TSHR P16473 3/20 0.56
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
CHRNB3 Q05901 1/20 0.47
CHRNA6 Q15825 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.44
TFPI2 P48307 1/20 0.43
HSD11B1 P28845 1/20 0.43
GRM5 P41594 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
SCHEMBL27752273 0.94 HPGD (0.72) HPGDALDH1A1TSHRHTTLMNA
SCHEMBL26124277 0.91 HPGD (0.68) HPGDALDH1A1TSHRHTTLMNA
SCHEMBL2677613 0.89 ALDH1A1 (0.72) HPGDALDH1A1TSHRHTTLMNA
SCHEMBL2677916 0.89 HTT (0.53) HPGDALDH1A1TSHRHTTLMNA
SCHEMBL2677816 0.88 ALDH1A1 (0.76) HPGDALDH1A1TSHRHTTLMNA
SCHEMBL2676701 0.88 ALDH1A1 (0.76) HPGDALDH1A1TSHRHTTLMNA
SCHEMBL3828585 0.84 ALDH1A1 (0.78) HPGDALDH1A1TSHRHTTLMNA
SCHEMBL2677292 0.84 HPGD (0.59) HPGDALDH1A1TSHRHTTLMNA
SCHEMBL2677457 0.84 HPGD (0.53) HPGDALDH1A1TSHRHTTLMNA
SCHEMBL2049321 0.84 ALDH1A1 (0.62) HPGDALDH1A1TSHRHTTLMNA

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
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
EP-2102171-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2009-09-23 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-2008071646-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 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

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 HPGD 304/4885ALDH1A1 561/4885TSHR 4052/4885

“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.