SCHEMBL771373

SCHEMBL771373

O=C(CC1CCCC1)NCCCC(=O)N1CCCC2CCCC=C21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.41
NFE2L2 Q16236 3/20 0.41
EPHX2 P34913 1/20 0.39
DRD2 P14416 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
NAMPT P43490 1/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DPP4 P27487 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL771385 0.99 KEAP1 (0.42) KEAP1NFE2L2EPHX2DRD2ADRA1A
SCHEMBL771647 0.90 ALDH1A1 (0.46) ALDH1A1HPGDCHRM2CHRM4CHRM5
SCHEMBL771492 0.83 ALDH1A1 (0.42) ALDH1A1HPGDCHRM2CHRM4CHRM5
SCHEMBL771278 0.83 SMN1; SMN2 (0.34) KEAP1NFE2L2ALDH1A1SMN1; SMN2DPP4
SCHEMBL771099 0.82 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1HPGDHSD17B10
SCHEMBL769890 0.82 ATM (0.49) NAMPTALDH1A1HPGDDPP4CHRM4
SCHEMBL770616 0.82 MAPT (0.36) RAB9ANPC1HPGDTSHRPOLB
SCHEMBL770945 0.82 NAAA (0.36) TSHRPOLB
SCHEMBL769987 0.81 EPHX2 (0.50) EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL772557 0.81 EPHX2 (0.50) EPHX2RAB9ANPC1SMN1; SMN2

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 KEAP1 431/4885NFE2L2 1015/4885EPHX2 1149/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 KEAP1 441/4885NFE2L2 1047/4885EPHX2 1153/4885

“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.