SCHEMBL5662962

SCHEMBL5662962

C[C@@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)c1csc(-c3cccc(Cl)c3Cl)n1)C2(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
TLR7 Q9NYK1 2/20 0.50
PANK3 Q9H999 1/20 0.49
HTR2C P28335 7/20 0.46
EPHX2 P34913 1/20 0.39
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
CHRNA7 P36544 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
PRKD3 O94806 1/20 0.34

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
SCHEMBL5662881 0.84 TDP1 (0.54) TDP1EPHX2NR1H2NR1H3HTR3E
SCHEMBL13548761 0.81 TLR7 (0.52) TLR7PANK3HTR2CHTR3EHTR3B
SCHEMBL5661835 0.78 TLR7 (0.51) TLR7PANK3HTR2CHTR3EHTR3B
SCHEMBL13548746 0.77 TLR7 (0.52) TLR7PANK3HTR2CTYR
SCHEMBL25190321 0.75 TDP1 (0.51) TDP1TLR7EPHX2HTR3EHTR3B
SCHEMBL3536765 0.74 TLR7 (0.57) TLR7PANK3HTR2CEPHX2HTR3E
SCHEMBL3536770 0.72 TLR7 (0.57) TLR7PANK3HTR2CGAARAB9A
SCHEMBL3539520 0.70 HTR2C (0.64) TLR7PANK3HTR2CRAB9APRKD3
SCHEMBL14463776 0.70 PANK3 (0.52) TLR7PANK3HTR2C
SCHEMBL13548679 0.69 HTR2C (0.62) TLR7PANK3HTR2CRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TDP1 2818/4885TLR7 2132/4885PANK3 1875/4885

“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.