SCHEMBL770204

SCHEMBL770204

O=C(CCCS)N1CCC2CCCC=C2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.34
NAMPT P43490 1/20 0.33
POLB P06746 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31

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
SCHEMBL770401 0.93 LMNA (0.39) HDAC3HDAC1HDAC10HDAC11NPC1
SCHEMBL769789 0.93 NPC1 (0.42) HDAC3HDAC1HDAC10HDAC11NPC1
SCHEMBL769773 0.92 HDAC3 (0.35) HDAC3HDAC1HDAC10HDAC11NPC1
SCHEMBL771656 0.90 MAPK1 (0.36) NPC1SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL770381 0.88 ITGB3 (0.41) NPC1SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL771398 0.88 SMYD3 (0.36) NPC1SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL771969 0.88 KMT2A (0.44) NPC1SMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL770997 0.88 ATM (0.47) NPC1SMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL770768 0.88 ITGB3 (0.41) HDAC3HDAC1HDAC10HDAC11NPC1
SCHEMBL771214 0.87 ITGB3 (0.38) HDAC3HDAC1HDAC10HDAC11NPC1

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 HDAC3 1439/4885HDAC1 301/4885HDAC10 1612/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 HDAC3 1448/4885HDAC1 304/4885HDAC10 1646/4885

“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.