SCHEMBL3536036

SCHEMBL3536036

CC1CCCC(C)N1C(=O)c1csc(-c2ccoc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
NTMT1 Q9BV86 1/20 0.41
KLK1 P06870 1/20 0.40
TRPC3 Q13507 1/20 0.37
TRPC6 Q9Y210 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ACKR3 P25106 1/20 0.36
PIN1 Q13526 1/20 0.36
CLK2 P49760 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
SCHEMBL3539672 0.76 HTR2C (0.48) HPGDSMN1; SMN2TSHRALDH1A1NPC1
SCHEMBL4971586 0.76 HPGD (0.46) HPGDSMN1; SMN2TSHRALDH1A1NPC1
SCHEMBL4969464 0.75 HTR2C (0.58) HPGDSMN1; SMN2TSHRALDH1A1NPC1
SCHEMBL4972130 0.75 HTR2C (0.58) HPGDSMN1; SMN2TSHRALDH1A1NPC1
SCHEMBL5662015 0.74 HTT (0.46) HPGDSMN1; SMN2TSHRALDH1A1NPC1
SCHEMBL3543329 0.74 HPGD (0.48) HPGDSMN1; SMN2TSHRALDH1A1NPC1
SCHEMBL3435741 0.74 ALDH1A1 (0.58) ALDH1A1KDM4E
SCHEMBL3540057 0.74 NPSR1 (0.48) HPGDSMN1; SMN2TSHRALDH1A1NPC1
SCHEMBL4975223 0.74 HPGD (0.44) HPGDSMN1; SMN2TSHRALDH1A1NPC1
SCHEMBL4973691 0.74 HTR2C (0.45) HPGDSMN1; SMN2TSHRALDH1A1NPC1

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 9 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
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
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 HPGD 1113/4885SMN1; SMN2 3881/4885TSHR 1802/4885

“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.