SCHEMBL771740

SCHEMBL771740

CCNC(=O)NCCCNC(=O)N1CCCC2CCCCC21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.40
EPHX2 P34913 3/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
TSHR P16473 1/20 0.37
EPHX1 P07099 7/20 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
SCHEMBL771332 0.86 NPC1 (0.44) NPC1RAB9ASMN1; SMN2NPSR1EPHX2
SCHEMBL770411 0.85 NPC1 (0.43) NPC1RAB9ASMN1; SMN2NPSR1EPHX2
SCHEMBL772312 0.84 EPHX2 (0.43) NPC1RAB9ASMN1; SMN2NPSR1EPHX2
SCHEMBL770863 0.83 EPHX1 (0.51) EPHX2EPHX1
SCHEMBL772709 0.83 EPHX1 (0.51) EPHX2EPHX1
SCHEMBL770423 0.81 FKBP1A (0.55) NPC1RAB9ASMN1; SMN2EPHX2POLB
SCHEMBL770635 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2NPSR1EPHX2
SCHEMBL771962 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2NPSR1EPHX2
SCHEMBL786891 0.80 NPC1 (0.51) NPC1RAB9ASMN1; SMN2NPSR1EPHX2
SCHEMBL772280 0.80 NPC1 (0.48) NPC1RAB9ASMN1; SMN2EPHX2

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 4 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-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
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 NPC1 97/4885RAB9A 2187/4885SMN1; SMN2 3653/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 NPC1 104/4885RAB9A 2217/4885SMN1; SMN2 3637/4885

“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.