SCHEMBL241847

SCHEMBL241847

CC(=O)OCc1ccc(OCC2OCCO2)cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 2/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.34
NLRP3 Q96P20 1/20 0.34
ALDH1A1 P00352 4/20 0.34
RXRB P28702 3/20 0.34
ACACB O00763 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9263293 0.79 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL242289 0.79 CHRNB2 (0.35)
SCHEMBL3300820 0.77 PDE3B (0.42) MAPTALDH1A1ACACBCYP4F2CYP4A11
SCHEMBL1059319 0.77 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL11375563 0.77 ALDH1A1 (0.44) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL8170006 0.76 ALDH1A1 (0.46) LMNAMAPTALDH1A1
SCHEMBL243825 0.74 CHRNB2 (0.51) NPC1RAB9AMAPT
SCHEMBL1974876 0.74 P4HTM (0.58) ACACANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3060324 0.74 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL103271 0.73 ACACB (0.45) ACACAALDH1A1ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742124-B2 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors ASTRAZENECA AB (SE) 2014-06-03 US disclosed
US-20130035346-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2013-02-07 US disclosed
US-20120004243-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2012-01-05 US disclosed
US-7943776-B2 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors ASRAZENECA AB (SE) 2011-05-17 US disclosed
EP-1699766-B1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2010-08-11 EP disclosed
US-20070135440-A1 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors ASTRAZENECA AB (SE) 2007-06-14 US disclosed
EP-1699766-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2005061465-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTO KINE INHIBITORS 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 (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-20070135440-A1 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors IL2, IL6, IL1B ACACA 789/4885NPC1 1456/4885RAB9A 231/4885
US-20120004243-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS IL2, IL6, IL1B ACACA 788/4885NPC1 1433/4885RAB9A 267/4885
US-20130035346-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS IL2, IL6, IL1B ACACA 788/4885NPC1 1433/4885RAB9A 267/4885

“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.