SCHEMBL771602

SCHEMBL771602

COC(Cc1ccccc1)NC(=O)CCCC(=O)N1CCCC2CCCCC21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 14/20 0.49
ACE2 Q9BYF1 6/20 0.49
HSD11B1 P28845 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL770525 0.87 ACE (0.48) ACEACE2HSD11B1NPC1RAB9A
SCHEMBL771572 0.84 ACE (0.48) ACEACE2HSD11B1NPC1RAB9A
SCHEMBL771050 0.84 DPP4 (0.51) ACEACE2HSD11B1NPC1RAB9A
SCHEMBL10138268 0.83 ACE (0.55) ACEACE2KMT2AALDH1A1HSD17B10
SCHEMBL770240 0.83 ACE (0.54) ACEACE2HSD11B1ALDH1A1HSD17B10
SCHEMBL770809 0.83 ACE (0.54) ACEACE2HSD11B1ALDH1A1HSD17B10
SCHEMBL15386652 0.83 ACE (0.54) ACEACE2HSD11B1ALDH1A1HSD17B10
SCHEMBL772411 0.81 NPC1 (0.43) ACEACE2HSD11B1NPC1RAB9A
SCHEMBL803113 0.81 NPC1 (0.43) ACEACE2HSD11B1NPC1RAB9A
SCHEMBL772523 0.81 PRCP (0.50) NPC1RAB9AMEN1KMT2ASMN1; 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 ACE 411/4885ACE2 1006/4885HSD11B1 1/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ACE 413/4885ACE2 1028/4885HSD11B1 1/4885

“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.