SCHEMBL771910

SCHEMBL771910

O=C(CCBr)N1CCC2CCCC=C2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.33
PDE4B Q07343 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
NAMPT P43490 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
SCHEMBL771656 0.91 MAPK1 (0.36) ALDH1A1KMT2ALMNAHPGDMAPK1
SCHEMBL771609 0.91 LMNA (0.36) ALDH1A1KMT2ALMNAHPGDKDM4E
SCHEMBL770401 0.89 LMNA (0.39) ALDH1A1KMT2ALMNAHPGDMEN1
SCHEMBL769789 0.89 NPC1 (0.42) ALDH1A1KMT2ALMNAHPGDMEN1
SCHEMBL769773 0.87 HDAC3 (0.35) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL770696 0.86 MEN1 (0.38) ALDH1A1KMT2ALMNAHPGDKDM4E
SCHEMBL770744 0.86 SMYD3 (0.37) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL771900 0.86 ATM (0.39) ALDH1A1KMT2AHPGDMEN1HSD17B10
SCHEMBL770204 0.85 HDAC3 (0.42) ALDH1A1KMT2ALMNAHPGDMEN1
SCHEMBL770997 0.84 ATM (0.47) ALDH1A1KMT2AHPGDMEN1TDP1

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 144/4885KMT2A 3868/4885LMNA 3155/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 142/4885KMT2A 3893/4885LMNA 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.