SCHEMBL770783

SCHEMBL770783

O=C(CCCS(=O)(=O)N1CCCC2CCCC=C21)N1CCCC2CCCCC21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HSD11B1 P28845 3/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 1/20 0.32
HPGD P15428 1/20 0.31
HTR7 P34969 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL771257 0.83 HTR7 (0.35) HSD11B1POLBSMN1; SMN2CNR2HTR7
SCHEMBL770150 0.82 POLB (0.40) NPC1RAB9APOLBTDP1SMN1; SMN2
SCHEMBL771132 0.82 POLB (0.40) NPC1RAB9APOLBTDP1SMN1; SMN2
SCHEMBL770148 0.82 POLB (0.40) NPC1RAB9APOLBTDP1SMN1; SMN2
SCHEMBL770852 0.82 FFAR4 (0.33)
SCHEMBL770641 0.81 CHRM2 (0.35) NPC1RAB9APOLBSMN1; SMN2HPGD
SCHEMBL770815 0.80 ALDH1A1 (0.31) NPC1RAB9APOLBSMN1; SMN2HPGD
SCHEMBL770874 0.80 NPC1 (0.47) NPC1RAB9APOLBTDP1SMN1; SMN2
SCHEMBL771723 0.79 CHRM2 (0.39) NPC1RAB9APOLBSMN1; SMN2HPGD
SCHEMBL770785 0.79 FKBP1A (0.30)

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-8822452-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2014-09-02 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-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

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 PDE3B 367/4885PDE3A 464/4885DRD2 1422/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 PDE3B 365/4885PDE3A 466/4885DRD2 1418/4885

“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.