SCHEMBL6209758

SCHEMBL6209758

O=[C]CCCC(=O)c1ccc(Br)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.56
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
DAO P14920 1/20 0.47
NPSR1 Q6W5P4 4/20 0.46
RXFP1 Q9HBX9 3/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ESR1 P03372 2/20 0.45
KMT2A Q03164 6/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 3/20 0.39
POLB P06746 3/20 0.39
MEN1 O00255 3/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 4/20 0.38
PPARG P37231 2/20 0.38
NCOA2 Q15596 2/20 0.38
ALOX12 P18054 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL15988673 0.82 GSK3B (0.73) GSK3BCES2CES1DAONPSR1
SCHEMBL12541939 0.79 GSK3B (0.59) GSK3BCES2CES1DAONPSR1
SCHEMBL6609187 0.79 GSK3B (0.68) GSK3BCES2CES1DAONPSR1
SCHEMBL2836298 0.79 GSK3B (0.63) GSK3BCES2CES1DAONPSR1
SCHEMBL28382588 0.78 GSK3B (0.58) GSK3BCES2CES1DAONPSR1
SCHEMBL6609447 0.78 GSK3B (0.66) GSK3BCES2CES1DAONPSR1
SCHEMBL1165071 0.77 GSK3B (0.56) GSK3BCES2CES1DAONPSR1
SCHEMBL2009655 0.77 GSK3B (0.56) GSK3BCES2CES1DAONPSR1
SCHEMBL6209761 0.77 GSK3B (0.56) GSK3BCES2CES1DAONPSR1
SCHEMBL6847233 0.75 GSK3B (0.63) GSK3BCES2CES1DAONPSR1

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 3 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 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 (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-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 GSK3B 2158/4885CES2 419/4885CES1 50/4885

“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.