SCHEMBL4973447

SCHEMBL4973447

O=C(c1csc(-c2ccccc2)n1)N1CC2CCC(CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
CHRNA7 P36544 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
TDP1 Q9NUW8 2/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.50
USP30 Q70CQ3 1/20 0.47
HPGDS O60760 2/20 0.47
TLR7 Q9NYK1 1/20 0.47
ACKR3 P25106 2/20 0.47
PIN1 Q13526 2/20 0.47
MAPT P10636 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL3536201 0.84 PIN1 (0.51) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL13548756 0.81 HTR2C (0.47) HTR2C
SCHEMBL4974439 0.81 HTR2C (0.42) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL4971650 0.81 HTR2C (0.47) HTR2C
SCHEMBL2225857 0.81 HDAC1 (0.55) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL3547467 0.81 HTR2C (0.63) HDAC1HDAC8HDAC6TDP1PTGDR2
SCHEMBL29944217 0.81 HTR2C (0.63) HDAC1HDAC8HDAC6TDP1PTGDR2
SCHEMBL3543198 0.81 HTR2C (0.63) HDAC1HDAC8HDAC6TDP1PTGDR2
SCHEMBL4975025 0.80 HTR3E (0.55) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL3539681 0.80 HTR3E (0.55) HTR3EHTR3BCHRNA7HTR3AHTR3D

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 5 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
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 HTR3E 825/4885HTR3B 705/4885CHRNA7 2912/4885

“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.