SCHEMBL794594

SCHEMBL794594

CCCCN(C)C(=O)CCSC(=O)N1CCCC2CCCCC21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
EPHX2 P34913 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 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
SCHEMBL771674 0.93 NPC1 (0.34) SIGMAR1CNR2ALDH1A1POLBTDP1
SCHEMBL770856 0.88 NPC1 (0.35) CNR2POLBTDP1NPC1RAB9A
SCHEMBL11274722 0.83 NPC1 (0.40) CNR2ALDH1A1MEN1KMT2APOLB
SCHEMBL769970 0.82 SIGMAR1 (0.38) SIGMAR1EPHX2MEN1KMT2APOLB
SCHEMBL770181 0.82 EPHX2 (0.40) SIGMAR1EPHX2MEN1KMT2APOLB
SCHEMBL771423 0.80 ALDH1A1 (0.40) SIGMAR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL17690700 0.80 SIGMAR1 (0.36) SIGMAR1CNR1CNR2EPHX2KDM4E
SCHEMBL771376 0.80 NPC1 (0.40) SIGMAR1EPHX2KDM4EALDH1A1TSHR
SCHEMBL771188 0.79 NPC1 (0.48) SIGMAR1MEN1KMT2APOLBNPC1
SCHEMBL771425 0.79 NPSR1 (0.40) SIGMAR1EPHX2TSHRPOLBTDP1

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 6 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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 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 SIGMAR1 3447/4885CNR1 1805/4885CNR2 3324/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 SIGMAR1 3410/4885CNR1 1859/4885CNR2 3374/4885

“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.