SCHEMBL770429

SCHEMBL770429

O=C(NCCC(=O)N1CCCC2CCCC=C21)NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.47
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
DRD4 P21917 1/20 0.43
LMNA P02545 1/20 0.43
CCR3 P51677 1/20 0.42
HPGD P15428 1/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
EPHX2 P34913 1/20 0.41
PPID Q08752 1/20 0.41
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL771344 0.94 KEAP1 (0.46) EPHX1KEAP1NFE2L2DRD4LMNA
SCHEMBL771634 0.93 KEAP1 (0.48) EPHX1KEAP1NFE2L2DRD4LMNA
SCHEMBL770954 0.90 ALDH1A1 (0.42) LMNAHPGDDPP4DPP8DPP7
SCHEMBL770260 0.86 ALDH1A1 (0.46) LMNAHPGDEPHX2ALDH1A1
SCHEMBL770222 0.86 MEN1 (0.46) EPHX1CCR3DPP4DPP8DPP7
SCHEMBL771368 0.85 HPGD (0.50) LMNAHPGDDPP4DPP8DPP7
SCHEMBL770246 0.84 EPHX2 (0.48) EPHX2ALDH1A1
SCHEMBL770800 0.84 DPP4 (0.47) DPP4ALDH1A1
SCHEMBL771986 0.83 MEN1 (0.52) LMNAHPGDDPP4DPP8DPP7
SCHEMBL770685 0.83 KEAP1 (0.42) KEAP1NFE2L2LMNAHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 EPHX1 227/4885KEAP1 431/4885NFE2L2 1015/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 EPHX1 232/4885KEAP1 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.