SCHEMBL3547753

SCHEMBL3547753

CCN(C(=O)c1csc(-c2ccccc2C(C)=O)n1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ADORA2A P29274 1/20 0.41
HSD11B1 P28845 1/20 0.40
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
OPRK1 P41145 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ITK Q08881 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38

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
SCHEMBL4973482 0.88 SLC6A9 (0.42) SLC6A9SLC6A5TSHRLMNAHSD11B1
SCHEMBL3535406 0.86 HTR2C (0.46) SLC6A9SLC6A5L3MBTL1TSHRLMNA
SCHEMBL3545629 0.84 SLC6A9 (0.59) SLC6A9SLC6A5L3MBTL1RAB9ANPC1
SCHEMBL3537086 0.82 HTR2C (0.54) SLC6A9SLC6A5L3MBTL1TSHRLMNA
SCHEMBL2044752 0.78 HRH3 (0.37) SLC6A9SLC6A5L3MBTL1TSHRRAB9A
SCHEMBL25192790 0.78 SLC6A9 (0.48) SLC6A9SLC6A5L3MBTL1TSHRLMNA
SCHEMBL3543022 0.76 TYR (0.61) LMNARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2027225 0.76 TYR (0.61) LMNARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL10720319 0.75 L3MBTL1 (0.60) L3MBTL1TSHRLMNAHSD11B1ALDH1A1
SCHEMBL25251628 0.74 SLC6A9 (0.44) SLC6A9SLC6A5L3MBTL1RAB9AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.