SCHEMBL771811

SCHEMBL771811

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
ASAH1 Q13510 1/20 0.53
ACER2 Q5QJU3 1/20 0.53
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
UGCG Q16739 2/20 0.43
ACE P12821 6/20 0.42
ACE2 Q9BYF1 4/20 0.42
DPP4 P27487 2/20 0.42
DPP8 Q6V1X1 2/20 0.42
DPP7 Q9UHL4 1/20 0.42
HSD11B1 P28845 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
DUT P33316 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL10138695 1.00 ALDH1A1 (0.53) ALDH1A1ASAH1ACER2NPC1RAB9A
SCHEMBL772162 0.91 UGCG (0.44) ALDH1A1ASAH1ACER2NPC1RAB9A
SCHEMBL770561 0.89 ALDH1A1 (0.41) ALDH1A1ASAH1ACER2NPC1RAB9A
SCHEMBL771118 0.89 PRCP (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2DPP4
SCHEMBL772523 0.89 PRCP (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2DPP4
SCHEMBL802601 0.86 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2ACE
SCHEMBL803113 0.83 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ACEACE2
SCHEMBL772411 0.83 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ACEACE2
SCHEMBL770941 0.82 TAAR1 (0.47) ASAH1NPC1RAB9ASMN1; SMN2DPP4
SCHEMBL770362 0.82 NPC1 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2ACE

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 6 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
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 ALDH1A1 144/4885ASAH1 143/4885ACER2 759/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 142/4885ASAH1 145/4885ACER2 766/4885

“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.