SCHEMBL771099

SCHEMBL771099

O=C(CCC1CCCCC1)NCCC(=O)N1CCCC2CCCC=C21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALPL P05186 1/20 0.37
ALOX15 P16050 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL771492 0.99 ALDH1A1 (0.42) ALDH1A1HPGDMEN1KMT2AALPL
SCHEMBL771647 0.92 ALDH1A1 (0.46) ALDH1A1HPGDMEN1KMT2ACHRM2
SCHEMBL770673 0.85 MTNR1A (0.34) ALDH1A1HPGDHSD17B10
SCHEMBL771395 0.84 OPRD1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL771385 0.83 KEAP1 (0.42) ALDH1A1HPGDCHRM2CHRM4CHRM5
SCHEMBL771020 0.83 SMN1; SMN2 (0.36) ALDH1A1HPGDMEN1KMT2ACHRM2
SCHEMBL771373 0.82 KEAP1 (0.41) ALDH1A1HPGDCHRM2CHRM4CHRM5
SCHEMBL771680 0.82 DPP4 (0.32) ALDH1A1KMT2ALMNA
SCHEMBL770637 0.81 EPHX1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL771010 0.81 EPHX1 (0.48) ALDH1A1NPC1RAB9ASMN1; 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 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 ALDH1A1 144/4885HPGD 50/4885MEN1 827/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 142/4885HPGD 50/4885MEN1 823/4885

“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.