SCHEMBL771633

SCHEMBL771633

O=C(NCCCCC(=O)N1CCCC2CCCCC21)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.49
KEAP1 Q14145 3/20 0.48
NFE2L2 Q16236 3/20 0.48
EPHX2 P34913 1/20 0.48
DPP4 P27487 2/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PPID Q08752 1/20 0.46
EPHX1 P07099 3/20 0.45
CCR3 P51677 1/20 0.45
HPGD P15428 1/20 0.45
HSD11B1 P28845 1/20 0.45
F2 P00734 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL771343 0.97 DPP4 (0.49) FKBP1AKEAP1NFE2L2EPHX2DPP4
SCHEMBL770428 0.92 DPP4 (0.49) FKBP1AEPHX2DPP4DPP8DPP7
SCHEMBL770684 0.89 FKBP1A (0.48) FKBP1AKEAP1NFE2L2EPHX2DPP4
SCHEMBL770456 0.88 MEN1 (0.55) FKBP1AEPHX2DPP4DPP8DPP7
SCHEMBL770423 0.87 FKBP1A (0.55) FKBP1AKEAP1NFE2L2EPHX2NPC1
SCHEMBL771767 0.86 NPC1 (0.59) FKBP1ADPP4NPC1RAB9ASMN1; SMN2
SCHEMBL770291 0.85 GAA (0.56) FKBP1AEPHX2DPP4DPP8DPP7
SCHEMBL770058 0.83 EPHX2 (0.58) EPHX2SMN1; SMN2KMT2A
SCHEMBL770626 0.83 EPHX2 (0.54) FKBP1AEPHX2DPP4DPP8DPP7
SCHEMBL769889 0.82 HSD11B1 (0.57) EPHX2DPP4DPP8DPP7NPC1

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-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-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
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 FKBP1A 359/4885KEAP1 431/4885NFE2L2 1015/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 FKBP1A 354/4885KEAP1 441/4885NFE2L2 1047/4885

“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.