SCHEMBL770608

SCHEMBL770608

O=C(CCCNC(=O)N1CCCC2CCCCC21)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.45
EPHX2 P34913 6/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.38
DPP4 P27487 1/20 0.37
FAP Q12884 1/20 0.37
DPP7 Q9UHL4 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
SCHEMBL770990 0.93 HSD11B1 (0.47) HSD11B1EPHX2L3MBTL1NPC1RAB9A
SCHEMBL770601 0.85 EPHX2 (0.47) HSD11B1EPHX2L3MBTL1NPC1ALDH1A1
SCHEMBL769928 0.85 L3MBTL1 (0.46) HSD11B1EPHX2L3MBTL1NPC1SMN1; SMN2
SCHEMBL771381 0.81 GBA1 (0.47) EPHX2NPC1RAB9AALDH1A1
SCHEMBL786891 0.79 NPC1 (0.51) HSD11B1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL772280 0.79 NPC1 (0.48) EPHX2NPC1RAB9ASMN1; SMN2DPP4
SCHEMBL770531 0.78 L3MBTL1 (0.44) HSD11B1EPHX2L3MBTL1NPC1ALDH1A1
SCHEMBL17690740 0.78 SMN1; SMN2 (0.41) HSD11B1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL770194 0.76 EPHX2 (0.49) EPHX2L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL771962 0.75 NPC1 (0.49) HSD11B1EPHX2NPC1RAB9ASMN1; SMN2

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 HSD11B1 1/4885EPHX2 1149/4885L3MBTL1 4097/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885EPHX2 1153/4885L3MBTL1 4090/4885

“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.