SCHEMBL493585

SCHEMBL493585

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

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.91
RECQL P46063 1/20 0.75
HSD17B10 Q99714 1/20 0.56
EPHX1 P07099 1/20 0.54
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPN6 P29350 1/20 0.52
PREP P48147 2/20 0.51
ABL1 P00519 1/20 0.51
RIN1 Q13671 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.47
GPR119 Q8TDV5 1/20 0.47

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
SCHEMBL6544206 0.97 HPGD (0.97) HPGDRECQLHSD17B10EPHX1PTPN2
SCHEMBL3164197 0.95 HPGD (1.00) HPGDRECQLHSD17B10EPHX1PTPN2
SCHEMBL4404176 0.94 HPGD (0.81) HPGDRECQLHSD17B10EPHX1PTPN2
SCHEMBL26125044 0.93 HPGD (0.79) HPGDRECQLHSD17B10EPHX1PREP
SCHEMBL1158811 0.92 HPGD (0.77) HPGDRECQLHSD17B10EPHX1PREP
SCHEMBL3716717 0.90 HPGD (0.80) HPGDRECQLHSD17B10EPHX1PTPN2
SCHEMBL19123138 0.90 HPGD (0.80) HPGDRECQLHSD17B10EPHX1PTPN2
SCHEMBL3919189 0.89 HPGD (0.77) HPGDRECQLHSD17B10EPHX1PTPN2
SCHEMBL13060184 0.89 HPGD (0.77) HPGDRECQLHSD17B10EPHX1PTPN2
SCHEMBL22657797 0.88 HPGD (0.77) HPGDRECQLHSD17B10EPHX1PTPN2

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 10 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-3873600-B9 PYRIDINYL SULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2024-02-14 EP disclosed
EP-3873600-B1 PYRIDINYL SULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2023-09-20 EP disclosed
US-20210361637-A1 PYRIDINYL SULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-25 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
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US 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 (3 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-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds MCHR1, MCHR2, MC5R HPGD 1286/4885RECQL 3381/4885HSD17B10 2074/4885
US-20070270398-A1 New Compounds III CYP11B2, CYP11B1, SDHA HPGD 304/4885RECQL 1420/4885HSD17B10 650/4885
US-20210361637-A1 PYRIDINYL SULFONAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF ARSA, SULT1A1, SULT2A1 HPGD 598/4885RECQL 380/4885HSD17B10 3354/4885

“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.