SCHEMBL3565263

SCHEMBL3565263

COC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.51
HDAC1 Q13547 1/20 0.51
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
KDM4E B2RXH2 3/20 0.47
UCHL1 P09936 1/20 0.45
USP30 Q70CQ3 1/20 0.45
XIAP P98170 1/20 0.45
BIRC2 Q13490 1/20 0.45
CHRM4 P08173 1/20 0.45
DRD2 P14416 1/20 0.45
HTR7 P34969 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CREBBP Q92793 1/20 0.43
NLRP3 Q96P20 1/20 0.43

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
SCHEMBL3571209 0.93 HDAC1 (0.53) HDAC6HDAC1PDK1PDK2PDK3
SCHEMBL29940282 0.93 HDAC1 (0.53) HDAC6HDAC1PDK1PDK2PDK3
SCHEMBL3576898 0.89 ALDH1A1 (0.45) HDAC6HDAC1PDK1PDK2PDK3
SCHEMBL29631022 0.89 ALDH1A1 (0.45) HDAC6HDAC1PDK1PDK2PDK3
SCHEMBL6625750 0.88 LMNA (0.46) KDM4ECHRM4DRD2HTR7NPC1
SCHEMBL6851608 0.83 CHRM4 (0.43) HDAC6HDAC1KDM4ECHRM4DRD2
SCHEMBL6851609 0.83 CHRM4 (0.43) HDAC6HDAC1KDM4ECHRM4DRD2
SCHEMBL30802841 0.82 HSD17B10 (0.54) HDAC6HDAC1PDK1PDK2PDK3
SCHEMBL846218 0.82 HDAC1 (0.53) HDAC6HDAC1PDK1PDK2PDK3
SCHEMBL1734457 0.82 HSD17B10 (0.54) HDAC6HDAC1PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926711-B1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
CN-101263116-B Novel heterobicyclic derivatives useful as liver carnitine palmitoyl transferase inhibitors HOFFMAN-LA ROCHE LTD. (CH) 2011-12-07 CN disclosed
US-7713996-B2 Indolyl derivatives which are L-CPT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-05-11 US disclosed
CN-101263116-A Novel heterobicyclic derivatives useful as liver carnitine palmitoyl transferase inhibitors HOFFMANN LA ROCHE (CH) 2008-09-10 CN disclosed
EP-1926711-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 EP disclosed
WO-2007031429-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 WO disclosed
US-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-03-15 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-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 HDAC6 1522/4885HDAC1 580/4885PDK1 334/4885

“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.