SCHEMBL3394438

SCHEMBL3394438

CC(C)(C)OC(=O)Nc1ccccc1[C]=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
BRD9 Q9H8M2 1/20 0.43
METAP1 P53582 1/20 0.42
NLRP3 Q96P20 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
TTK P33981 1/20 0.40
GAA P10253 1/20 0.40
BRD4 O60885 1/20 0.39
CNR2 P34972 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39

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
SCHEMBL30914163 0.86 PDK1 (0.57) NLRP3PDK1PDK2PDK3PDK4
SCHEMBL24110547 0.86 LMNA (0.48) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL4774446 0.86 PDK1 (0.57) NLRP3PDK1PDK2PDK3PDK4
SCHEMBL2880191 0.84 LMNA (0.54) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL7043141 0.82 LMNA (0.45) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL17522467 0.81 MEN1 (0.52) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL17521618 0.79 GAA (0.43) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL1534089 0.78 NPC1 (0.58) LMNAPOLBRXFP1BRD9PDK1
SCHEMBL2880194 0.78 BRD9 (0.52) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL736662 0.78 POLB (0.49) LMNAPOLBRXFP1BRD9METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206704-A1 Pharmaceutically active diazepanes Novartis AG (CH) 2010-07-14 EP claimed
US-20080300237-A1 Pharmaceutically Active Diazepanes OBERHAUSER BERNDT 2008-12-04 US claimed
CN-101163685-A Pharmaceutically active diazepanes NOVARTIS AG NOVARTIS PHARMA GM (CH) 2008-04-16 CN claimed
EP-1874739-A1 PHARMACEUTICALLY ACTIVE DIAZEPANES Novartis AG (CH) 2008-01-09 EP claimed
WO-2006111371-A1 PHARMACEUTICALLY ACTIVE DIAZEPANES NOVARTIS AG (CH) 2006-10-26 WO claimed
EP-2206704-A1 Pharmaceutically active diazepanes Novartis AG (CH) 2010-07-14 EP disclosed
US-20080300237-A1 Pharmaceutically Active Diazepanes OBERHAUSER BERNDT 2008-12-04 US disclosed
CN-101163685-A Pharmaceutically active diazepanes NOVARTIS AG NOVARTIS PHARMA GM (CH) 2008-04-16 CN disclosed
EP-1874739-A1 PHARMACEUTICALLY ACTIVE DIAZEPANES Novartis AG (CH) 2008-01-09 EP disclosed
WO-2006111371-A1 PHARMACEUTICALLY ACTIVE DIAZEPANES NOVARTIS AG (CH) 2006-10-26 WO disclosed
CN-1723199-A 1,4-disubstituted piperidine derivatives and their use as 11-beta hsd1 inhibitors ASTRAZENECA AB (SE) 2006-01-18 CN disclosed
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 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-20080300237-A1 Pharmaceutically Active Diazepanes VCAM1, ICAM1, CD69 LMNA 3812/4885POLB 4451/4885RXFP1 2333/4885
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 LMNA 3152/4885POLB 1926/4885RXFP1 1292/4885

“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.