SCHEMBL794668

SCHEMBL794668

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
HSD11B1 P28845 3/20 0.35
PREP P48147 1/20 0.35
DPP7 Q9UHL4 1/20 0.35

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 0.89 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2PREP
SCHEMBL771918 0.89 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2PREP
SCHEMBL772299 0.89 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2PREP
SCHEMBL770584 0.88 NPC1 (0.43) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL795113 0.85 SMN1; SMN2 (0.38) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL771530 0.85 HSD11B1 (0.36) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL770909 0.85 NPC1 (0.47) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL771464 0.84 DRD2 (0.51) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL771978 0.83 KMT2A (0.50) NPC1RAB9ASMN1; SMN2POLB
SCHEMBL771435 0.83 POLB (0.39) DRD2DRD4NPC1RAB9ASMN1; 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 5 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-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 DRD2 1422/4885DRD4 1484/4885NPC1 97/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 DRD2 1418/4885DRD4 1487/4885NPC1 104/4885

“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.