SCHEMBL801893

SCHEMBL801893

CC(C)(C)OC(=O)NCCC(=O)N1CCCC2CCCCC21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
SIGMAR1 Q99720 2/20 0.43
ACE P12821 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
DRD2 P14416 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
DRD4 P21917 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD11B1 P28845 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
DPP4 P27487 1/20 0.37

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
SCHEMBL27004682 0.86 EPHX1 (0.43) EPHX1SIGMAR1DRD2MEN1ALDH1A1
SCHEMBL1632876 0.83 EPHX1 (0.46) EPHX1SIGMAR1ACEL3MBTL1HDAC8
SCHEMBL1632873 0.82 EPHX1 (0.48) EPHX1SIGMAR1ACEL3MBTL1HDAC8
SCHEMBL10883992 0.81 ACE (0.56) EPHX1SIGMAR1ACEHDAC8SMN1; SMN2
SCHEMBL31465518 0.81 ACE (0.56) EPHX1SIGMAR1ACEHDAC8SMN1; SMN2
SCHEMBL770409 0.81 CACNA1H (0.40) DRD2SMN1; SMN2DRD4NPC1RAB9A
SCHEMBL10881232 0.80 DPP4 (0.49) EPHX1SIGMAR1ACEHDAC8SMN1; SMN2
SCHEMBL29489430 0.80 KLK5 (0.51) EPHX1SIGMAR1ACEHDAC8MEN1
SCHEMBL769965 0.80 NPC1 (0.50) DRD2SMN1; SMN2DRD4NPC1RAB9A
SCHEMBL771679 0.80 NPC1 (0.47) ACEDRD2SMN1; SMN2DRD4NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 EPHX1 227/4885SIGMAR1 3447/4885ACE 411/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 EPHX1 232/4885SIGMAR1 3410/4885ACE 413/4885

“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.