SCHEMBL769789

SCHEMBL769789

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TSHR P16473 1/20 0.35
NAMPT P43490 1/20 0.34
POLB P06746 2/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33

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 0.97 LMNA (0.39) NPC1ATMSMN1; SMN2LMNAMAPT
SCHEMBL770381 0.95 ITGB3 (0.41) NPC1ATMSMN1; SMN2LMNAMAPT
SCHEMBL770997 0.95 ATM (0.47) NPC1ATMSMN1; SMN2ALDH1A1HPGD
SCHEMBL771656 0.94 MAPK1 (0.36) NPC1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL770204 0.93 HDAC3 (0.42) NPC1ATMSMN1; SMN2LMNAMAPT
SCHEMBL769712 0.92 NPC1 (0.57) NPC1ATMSMN1; SMN2LMNAMAPT
SCHEMBL771398 0.92 SMYD3 (0.36) NPC1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL771969 0.92 KMT2A (0.44) NPC1ATMSMN1; SMN2ALDH1A1HPGD
SCHEMBL770768 0.92 ITGB3 (0.41) NPC1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL771078 0.91 NPC1 (0.42) NPC1ATMSMN1; SMN2LMNAMAPT

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 97/4885ATM 3373/4885SMN1; SMN2 3653/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 NPC1 104/4885ATM 3394/4885SMN1; SMN2 3637/4885

“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.