SCHEMBL770824

SCHEMBL770824

O=C(NCCC(=O)N1CCC2CCCC=C2C1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
EPHX2 P34913 17/20 0.47
EPHX1 P07099 12/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL770369 0.94 EPHX2 (0.50) NPC1ALDH1A1LMNAHTTRAB9A
SCHEMBL15378143 0.90 NPC1 (0.47) NPC1ALDH1A1LMNAHTTRAB9A
SCHEMBL15377462 0.85 EPHX2 (0.49) ALDH1A1EPHX2EPHX1
SCHEMBL15378203 0.83 EPHX2 (0.40) NPC1ALDH1A1LMNAHTTRAB9A
SCHEMBL15377730 0.80 HTT (0.50) NPC1ALDH1A1LMNAHTTRAB9A
SCHEMBL771075 0.79 NPC1 (0.36) NPC1ALDH1A1LMNAHTTRAB9A
SCHEMBL770401 0.78 LMNA (0.39) NPC1ALDH1A1LMNAHTTMEN1
SCHEMBL771656 0.78 MAPK1 (0.36) NPC1ALDH1A1LMNAHTTKMT2A
SCHEMBL770861 0.76 EPHX1 (0.38) NPC1LMNAEPHX2EPHX1KMT2A
SCHEMBL769789 0.75 NPC1 (0.42) NPC1ALDH1A1LMNAHTTMEN1

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 NPC1 97/4885ALDH1A1 144/4885LMNA 3155/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 NPC1 104/4885ALDH1A1 142/4885LMNA 3116/4885

“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.