SCHEMBL3545629

SCHEMBL3545629

CCN(C(=O)c1csc(-c2ccccc2)n1)C1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.59
SLC6A5 Q9Y345 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.51
PIN1 Q13526 2/20 0.48
ACKR3 P25106 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
HPGDS O60760 1/20 0.43
ADORA2A P29274 1/20 0.43
HSD11B1 P28845 1/20 0.43
AGER Q15109 1/20 0.43

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
SCHEMBL3535406 0.85 HTR2C (0.46) SLC6A9SLC6A5L3MBTL1TDP1RAB9A
SCHEMBL4974624 0.85 SLC6A9 (0.54) SLC6A9SLC6A5PIN1ACKR3HDAC1
SCHEMBL25192790 0.85 SLC6A9 (0.48) SLC6A9SLC6A5L3MBTL1PIN1ACKR3
SCHEMBL3547753 0.84 SLC6A9 (0.44) SLC6A9SLC6A5L3MBTL1RAB9ANPC1
SCHEMBL25251628 0.84 SLC6A9 (0.44) SLC6A9SLC6A5L3MBTL1ACKR3RAB9A
SCHEMBL3537086 0.81 HTR2C (0.54) SLC6A9SLC6A5L3MBTL1RAB9AADORA2A
SCHEMBL25193922 0.79 SLC6A9 (0.48) SLC6A9SLC6A5PIN1ACKR3S1PR1
SCHEMBL25206536 0.77 SLC6A9 (0.45) SLC6A9SLC6A5L3MBTL1PIN1ACKR3
SCHEMBL4139952 0.77 L3MBTL1 (0.62) L3MBTL1ADORA2AHSD11B1AGER
SCHEMBL25191696 0.76 SLC6A9 (0.47) SLC6A9SLC6A5PIN1ACKR3S1PR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP claimed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO claimed
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP disclosed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO disclosed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO disclosed
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 US disclosed
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 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 (1 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-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GOT2, PC, CYP11B2 SLC6A9 2152/4885SLC6A5 1603/4885L3MBTL1 4302/4885

“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.