SCHEMBL769644

SCHEMBL769644

O=C(CCCC(=O)N1CCCC2CCCC=C21)N1CCC2CCCC=C2C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL770647 0.98 HDAC3 (0.35) NPC1SMN1; SMN2HDAC3HDAC1HDAC10
SCHEMBL770350 0.95 LMNA (0.31) SMN1; SMN2LMNAHPGDMAPK1KMT2A
SCHEMBL769789 0.89 NPC1 (0.42) NPC1SMN1; SMN2HDAC3HDAC1HDAC10
SCHEMBL770034 0.88 PDE4B (0.31)
SCHEMBL770401 0.86 LMNA (0.39) NPC1SMN1; SMN2HDAC3HDAC1HDAC10
SCHEMBL770616 0.86 MAPT (0.36) NPC1SMN1; SMN2ATMLMNAHPGD
SCHEMBL770125 0.84 NPC1 (0.40) NPC1SMN1; SMN2ATMALDH1A1LMNA
SCHEMBL770381 0.84 ITGB3 (0.41) NPC1SMN1; SMN2ATMALDH1A1LMNA
SCHEMBL770997 0.84 ATM (0.47) NPC1SMN1; SMN2ATMALDH1A1HPGD
SCHEMBL770210 0.84 ATM (0.47) NPC1SMN1; SMN2ATMALDH1A1HPGD

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 NPC1 97/4885SMN1; SMN2 3653/4885HDAC3 1439/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 NPC1 104/4885SMN1; SMN2 3637/4885HDAC3 1448/4885

“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.