SCHEMBL3542598

SCHEMBL3542598

O=C(c1csc(-c2ccccc2)n1)N1CCC(Cl)C2CCCCC21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
CHRNA7 P36544 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
ACKR3 P25106 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PIM1 P11309 1/20 0.45
PIM3 Q86V86 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
PIN1 Q13526 4/20 0.44
MAPT P10636 3/20 0.44
ATM Q13315 2/20 0.44

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
SCHEMBL13548734 0.88 CNR1 (0.56) CNR1CNR2HTR3EHTR3BCHRNA7
SCHEMBL14463759 0.87 CNR1 (0.55) CNR1CNR2HTR3EHTR3BCHRNA7
SCHEMBL5660619 0.85 CNR1 (0.42) CNR1CNR2ACKR3PIM1PIM3
SCHEMBL3539661 0.83 HTR2C (0.61) CNR1CNR2TLR7L3MBTL1ALDH1A1
SCHEMBL27751103 0.82 CNR1 (0.41) CNR1CNR2ACKR3PIM1PIM3
SCHEMBL4973394 0.82 CNR1 (0.41) CNR1CNR2HTR3EHTR3BCHRNA7
SCHEMBL3535646 0.82 CNR1 (0.58) CNR1CNR2HTR3EHTR3BCHRNA7
SCHEMBL27751108 0.81 CNR1 (0.40) CNR1CNR2ACKR3PIM1PIM3
SCHEMBL3545130 0.80 CNR1 (0.56) CNR1CNR2HTR3EHTR3BCHRNA7
SCHEMBL3545642 0.80 KDM4E (0.47) CNR1CNR2TDP1PIM1KDM4E

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
CN-101370796-A Thiazoles as 11 beta-HSD1 inhibitors HOFFMANN LA ROCHE (CH) 2009-02-18 CN claimed
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
CN-101370796-B Thiazoles as 11 beta-HSD1 inhibitors HOFFMANN LA ROCHE 2012-10-10 CN disclosed
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
CN-101370796-A Thiazoles as 11 beta-HSD1 inhibitors HOFFMANN LA ROCHE (CH) 2009-02-18 CN 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
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 CNR1 888/4885CNR2 505/4885HTR3E 825/4885

“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.