SCHEMBL1720183

SCHEMBL1720183

O=C(c1ccccc1)C1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.82
KMT2A Q03164 4/20 0.82
MEN1 O00255 3/20 0.82
HSD11B1 P28845 3/20 0.82
CPB1 P15086 1/20 0.74
ALDH1A1 P00352 1/20 0.68
ACHE P22303 1/20 0.67
POLB P06746 1/20 0.65

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
SCHEMBL1720014 0.91 HSD11B1 (1.00) MGLLKMT2AMEN1HSD11B1ALDH1A1
SCHEMBL6208966 0.91 MGLL (1.00) MGLLKMT2AMEN1HSD11B1
SCHEMBL1720910 0.91 MGLL (1.00) MGLLKMT2AMEN1HSD11B1
SCHEMBL1720669 0.91 MEN1 (0.88) MGLLKMT2AMEN1HSD11B1ALDH1A1
SCHEMBL1719734 0.90 MGLL (0.68) MGLLKMT2AMEN1HSD11B1CPB1
SCHEMBL2556107 0.87 CPB1 (0.67) MGLLKMT2AMEN1HSD11B1CPB1
SCHEMBL1673861 0.87 MAPT (0.73) MGLLKMT2AMEN1HSD11B1ACHE
SCHEMBL6210086 0.87 MEN1 (1.00) MGLLKMT2AMEN1HSD11B1CPB1
SCHEMBL6210853 0.87 POLB (0.89) MGLLKMT2AMEN1HSD11B1ALDH1A1
SCHEMBL1720550 0.87 POLB (0.89) MGLLKMT2AMEN1HSD11B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US claimed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP claimed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 WO claimed
EP-1566380-B1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-01-11 EP disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US 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-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 EP 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-20060094743-A1 Isoquinoline compounds and medicinal use thereof PARP1, NQO1, PARP3 MGLL 3022/4885KMT2A 1063/4885MEN1 3125/4885
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 MGLL 2824/4885KMT2A 1395/4885MEN1 2970/4885

“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.