SCHEMBL795113

SCHEMBL795113

O=C(CCSC(=O)N1CCCC2CCCCC21)N1CCC2CCCCC2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD11B1 P28845 8/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DPP7 Q9UHL4 1/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PREP P48147 1/20 0.33
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B1 P14061 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL770440 0.86 ALDH1A1 (0.45) SMN1; SMN2NPC1RAB9APREPALDH1A1
SCHEMBL772299 0.86 ALDH1A1 (0.45) SMN1; SMN2NPC1RAB9APREPALDH1A1
SCHEMBL771918 0.86 ALDH1A1 (0.45) SMN1; SMN2NPC1RAB9APREPALDH1A1
SCHEMBL771978 0.85 KMT2A (0.50) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL794668 0.85 DRD2 (0.43) SMN1; SMN2NPC1RAB9AHSD11B1DRD2
SCHEMBL770909 0.85 NPC1 (0.47) SMN1; SMN2NPC1RAB9AHSD11B1DRD2
SCHEMBL770349 0.84 NPC1 (0.43) SMN1; SMN2NPC1RAB9AHSD11B1DRD2
SCHEMBL771435 0.83 POLB (0.39) SMN1; SMN2NPC1RAB9AHSD11B1DRD2
SCHEMBL771530 0.82 HSD11B1 (0.36) SMN1; SMN2NPC1RAB9AHSD11B1DRD2
SCHEMBL770646 0.82 GNAI3 (0.42) SMN1; SMN2NPC1RAB9AHSD11B1DRD2

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

“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.