SCHEMBL1424928

SCHEMBL1424928

CC(C)(C)OC(=O)NC(CC=O)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.48
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CTSK P43235 7/20 0.43
CTSS P25774 2/20 0.43
GAA P10253 1/20 0.43
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
BTK Q06187 1/20 0.38
CACNA1B Q00975 2/20 0.37
KMT2A Q03164 1/20 0.37
AAK1 Q2M2I8 1/20 0.36

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
SCHEMBL9221868 1.00 EPHX1 (0.48) EPHX1HDAC4HDAC1HDAC6CTSK
SCHEMBL3389395 0.99 EPHX1 (0.46) EPHX1HDAC4HDAC1HDAC6CTSK
SCHEMBL571421 0.93 CTSK (0.47) EPHX1HDAC4HDAC1HDAC6CTSK
SCHEMBL9822629 0.87 EPHX1 (0.44) EPHX1HDAC4HDAC1HDAC6CTSK
SCHEMBL9221873 0.86 EPHX1 (0.46) EPHX1HDAC4HDAC1HDAC6CTSK
SCHEMBL7359182 0.85 HDAC4 (0.42) EPHX1HDAC4HDAC1HDAC6CTSK
SCHEMBL7331006 0.85 HDAC4 (0.42) EPHX1HDAC4HDAC1HDAC6CTSK
SCHEMBL10713649 0.85 HDAC4 (0.42) EPHX1HDAC4HDAC1HDAC6CTSK
SCHEMBL15795844 0.84 CTSK (0.40) EPHX1HDAC4HDAC1HDAC6CTSK
SCHEMBL7328387 0.84 CTSK (0.43) EPHX1HDAC4HDAC1HDAC6CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268863-B2 Disubstituted alkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2012-09-18 US disclosed
US-20110144152-A1 DISUBSTITUTED ALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-06-16 US disclosed
US-7947710-B2 Disubstituted alkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2011-05-24 US disclosed
EP-2195314-B1 DISUBSTITUTED ALKYL-8-AZABICYCLO [3.2.1.]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2011-03-23 EP disclosed
US-20090062332-A1 Disubstituted alkyl-8-azabicyclo[3.2.1] octane compounds as mu opioid receptor antagonists THERAVANCE, INC 2009-03-05 US disclosed
US-20040266823-A1 Novel piperidine derivatives as modulators of chemokine receptors ASTRAZENECA AB (SE) 2004-12-30 US disclosed
EP-1448525-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS AstraZeneca AB (SE) 2004-08-25 EP disclosed
US-20040110952-A1 N-4-piperidinyl compounds as ccr5 modulators ASTRAZENECA AB (SE) 2004-06-10 US disclosed
EP-1368314-A1 N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS AstraZeneca AB (SE) 2003-12-10 EP disclosed
WO-2003042178-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2003-05-22 WO disclosed
WO-2002070479-A1 N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS ASTRAZENECA AB (SE) 2002-09-12 WO disclosed
EP-0349570-A1 RENIN INHIBITORS CONTAINING A CYCLOPROPYL AMINO ACID AND/OR A CYCLOALKYL TRANSITION-STATE ANALOGUE THE UPJOHN COMPANY (US) 1990-01-10 EP disclosed
US-4882420-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS THE UPJOHN COMPANY (US) 1989-11-21 US disclosed
WO-1988007053-A1 RENIN INHIBITORS CONTAINING A CYCLOPROPYL AMINO ACID AND/OR A CYCLOALKYL TRANSITION-STATE ANALOGUE THE UPJOHN COMPANY (US) 1988-09-22 WO disclosed
EP-0218688-A1 DIHALO-STATINE SUBSTITUTED RENIN INHIBITORS. UPJOHN CO (US) 1987-04-22 EP disclosed
WO-1986006379-A1 DIHALO-STATINE SUBSTITUTED RENIN INHIBITORS THE UPJOHN COMPANY (US) 1986-11-06 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 (4 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-20040266823-A1 Novel piperidine derivatives as modulators of chemokine receptors CCR5, CCR2, CX3CR1 EPHX1 1231/4885HDAC4 2632/4885HDAC1 1052/4885
US-20040110952-A1 N-4-piperidinyl compounds as ccr5 modulators CCR5, CCL5, CCR2 EPHX1 2047/4885HDAC4 917/4885HDAC1 791/4885
US-20090062332-A1 Disubstituted alkyl-8-azabicyclo[3.2.1] octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 EPHX1 2630/4885HDAC4 1478/4885HDAC1 488/4885
US-20110144152-A1 DISUBSTITUTED ALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 EPHX1 2630/4885HDAC4 1478/4885HDAC1 488/4885

“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.