SCHEMBL771664

SCHEMBL771664

O=C(CCCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)N1CCC2CCCC=C2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
HPGD P15428 7/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
MAPK1 P28482 3/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
ACHE P22303 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL771060 0.97 SMN1; SMN2 (0.49) ALDH1A1HPGDLMNAMAPTMAPK1
SCHEMBL770679 0.88 ALDH1A1 (0.64) ALDH1A1HPGDLMNAMAPTMAPK1
SCHEMBL770963 0.87 ALDH1A1 (0.51) ALDH1A1HPGDLMNAMAPTMAPK1
SCHEMBL771557 0.86 HSD17B10 (0.38) ALDH1A1HPGDLMNAMAPTMAPK1
SCHEMBL769681 0.85 SMN1; SMN2 (0.65) ALDH1A1HPGDLMNAMAPTMAPK1
SCHEMBL771428 0.83 SMN1; SMN2 (0.51) ALDH1A1HPGDLMNAMAPTMAPK1
SCHEMBL770401 0.82 LMNA (0.39) ALDH1A1HPGDLMNAMAPTMAPK1
SCHEMBL770981 0.82 ALDH1A1 (0.52) ALDH1A1HPGDLMNAMAPTMAPK1
SCHEMBL770301 0.80 MAPK1 (0.64) ALDH1A1HPGDLMNAMAPTMAPK1
SCHEMBL769789 0.80 NPC1 (0.42) ALDH1A1HPGDLMNAMAPTMAPK1

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 ALDH1A1 144/4885HPGD 50/4885LMNA 3155/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 142/4885HPGD 50/4885LMNA 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.