SCHEMBL3540337

SCHEMBL3540337

O=C(c1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CCCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.55
HPGD P15428 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TSHR P16473 1/20 0.55
HTR2C P28335 2/20 0.54
LMNA P02545 4/20 0.52
MAPK1 P28482 2/20 0.52
MAPT P10636 2/20 0.52
NR1H4 Q96RI1 1/20 0.47
PIN1 Q13526 1/20 0.45
IDE P14735 1/20 0.45
MAPK10 P53779 1/20 0.45
KDM1A O60341 1/20 0.45
PREP P48147 1/20 0.44
FAP Q12884 1/20 0.44
POLB P06746 1/20 0.44
HDAC4 P56524 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL3537970 0.83 HTR2C (0.64) TLR7HTR2CNPC1RAB9A
SCHEMBL3540590 0.83 ALDH1A1 (0.61) TLR7HPGDMEN1KMT2ATSHR
SCHEMBL29944217 0.83 HTR2C (0.63) TLR7HPGDMEN1KMT2AHTR2C
SCHEMBL3543198 0.83 HTR2C (0.63) TLR7HPGDMEN1KMT2AHTR2C
SCHEMBL3547467 0.83 HTR2C (0.63) TLR7HPGDMEN1KMT2AHTR2C
SCHEMBL3537356 0.81 TLR7 (0.48) TLR7LMNAMAPK1MAPTNR1H4
SCHEMBL3538230 0.80 TLR7 (0.47) TLR7HPGDKMT2ALMNAMAPK1
SCHEMBL3543035 0.79 CNR1 (0.50) TLR7LMNAMAPK1MAPTNR1H4
SCHEMBL3533598 0.78 ALDH1A1 (0.65) TLR7MEN1KMT2ALMNAMAPK1
SCHEMBL3063332 0.77 LMNA (0.64) TLR7HPGDLMNAMAPK1MAPT

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 11 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
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 TLR7 2132/4885HPGD 1113/4885MEN1 702/4885

“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.