SCHEMBL771080

SCHEMBL771080

O=C(CCCC(=O)N1CCc2ccccc2[C@H]1c1ccccc1)N1CCCC2CCCCC21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HHAT Q5VTY9 3/20 0.52
CYP2D6 P10635 1/20 0.51
CHRM3 P20309 4/20 0.49
CHRM2 P08172 2/20 0.49
CHRM1 P11229 2/20 0.49
KCNH2 Q12809 2/20 0.48
CACNA1F O60840 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
KCNE1 P15382 1/20 0.48
KCNQ1 P51787 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48
SCN5A Q14524 1/20 0.48
KCND3 Q9UK17 1/20 0.48
OPRM1 P35372 3/20 0.46
OPRD1 P41143 2/20 0.46
HDAC8 Q9BY41 3/20 0.45
HDAC3 O15379 2/20 0.45

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
SCHEMBL795112 1.00 HHAT (0.52) HHATCYP2D6CHRM3CHRM2CHRM1
SCHEMBL27841341 0.79 HHAT (0.62) HHATCYP2D6CHRM3CHRM2CHRM1
SCHEMBL771081 0.78 HHAT (0.47) HHATCYP2D6CHRM3CHRM2CHRM1
SCHEMBL770314 0.78 TSHR (0.49)
SCHEMBL771304 0.77 TSHR (0.56)
SCHEMBL13507891 0.76 KCNH2 (0.71) HHATCYP2D6CHRM3KCNH2
SCHEMBL770615 0.76 DRD2 (0.49)
SCHEMBL2793454 0.75 NPSR1 (0.67) HHATCYP2D6CHRM3CHRM2CHRM1
SCHEMBL794035 0.75 MAPT (0.47)
SCHEMBL794485 0.75 HSD11B1 (0.65) CHRM3CHRM2CHRM1CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP disclosed
US-8822452-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2014-09-02 US disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-8524894-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2013-09-03 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 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 (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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 HHAT 475/4885CYP2D6 395/4885CHRM3 4456/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 HHAT 486/4885CYP2D6 394/4885CHRM3 4456/4885

“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.