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SCHEMBL920452

SCHEMBL920452

CC1(C)COC(CSCC(=O)N2C(=O)OC[C@@H]2c2ccccc2)(c2ccc(Cl)cc2)OC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GLS O94925 4/20 0.33
▸ HCRTR1 O43613 2/20 0.33
▸ HCRTR2 O43614 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HDAC1 Q13547 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ AVPR1A P37288 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
SCHEMBL5709163 0.94 NPC1 (0.38) NPC1LMNATP53HPGDRAB9A
SCHEMBL919237 0.94 NPC1 (0.38) NPC1LMNATP53HPGDRAB9A
SCHEMBL920105 0.92 LMNA (0.35) NPC1LMNATP53HPGDRAB9A
SCHEMBL919710 0.90 GRIN1 (0.37) NPC1LMNATP53HPGDRAB9A
SCHEMBL5709096 0.90 GRIN1 (0.37) NPC1LMNATP53HPGDRAB9A
SCHEMBL2081034 0.86 TSHR (0.38) NPC1LMNATP53HPGDRAB9A
SCHEMBL5121428 0.86 TSHR (0.38) NPC1LMNATP53HPGDRAB9A
SCHEMBL920139 0.76 ALDH1A1 (0.41) LMNAPOLBHSD11B1ALDH1A1GAA
SCHEMBL4691426 0.76 GRIN1 (0.41) NPC1LMNATP53HPGDRAB9A
SCHEMBL16430854 0.71 TP53 (0.40) NPC1LMNATP53HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871998-B2 Diphenylazetidinone derivatives possessing cholesterol absorption inhibitory activity ASTRAZENECA AB (SE) 2011-01-18 — — US disclosed
EP-1699759-B1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-10-20 — — EP disclosed
US-20100099657-A2 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity ASTRAZENECA AB (SE) 2010-04-22 — — US disclosed
US-20080064676-A1 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity ASTRAZENECA AB (SE) 2008-03-13 — — US disclosed
EP-1699759-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY AstraZeneca AB (SE) 2006-09-13 — — EP disclosed
WO-2005061452-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 — — WO 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 (2 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-20100099657-A2 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity CYP46A1, CYP51A1, DHCR7 NPC1 7/4885LMNA 999/4885TP53 4521/4885
US-20080064676-A1 Diphenylazetidinone Derivatives Possessing Cholesterol Absorption Inhibitory Activity CYP46A1, CYP51A1, DHCR7 NPC1 7/4885LMNA 999/4885TP53 4521/4885

“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.