SCHEMBL1688137

SCHEMBL1688137

Cc1cccc(C)c1N1CCC(CO)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ PDE10A Q9Y233 5/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ KHK P50053 1/20 0.40
▸ PTGER4 P35408 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ IRAK1 P51617 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ C5AR1 P21730 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ BPTF Q12830 1/20 0.37

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
SCHEMBL1688142 0.90 KHK (0.50) SLC6A2SLC6A4PDE10AEPHX2KHK
SCHEMBL15160352 0.82 SLC6A2 (0.43) SLC6A2SLC6A4PDE10ATDP1MAPT
SCHEMBL16882199 0.78 SLC6A2 (0.43) SLC6A2SLC6A4TDP1MAPTMAPK1
SCHEMBL23555133 0.77 SLC6A2 (0.50) SLC6A2SLC6A4TDP1MAPTMAPK1
SCHEMBL3402972 0.77 CNR2 (0.42) EPHX2SMN1; SMN2
SCHEMBL15158792 0.77 SLC6A2 (0.40) SLC6A2SLC6A4TDP1MAPTMAPK1
SCHEMBL2940286 0.75 PDE10A (0.38) PDE10ATDP1MAPTMAPK1GAA
SCHEMBL21287875 0.75 ALDH1A1 (0.42) SLC6A2SLC6A4TDP1MAPTMAPK1
SCHEMBL23554912 0.75 SLC6A2 (0.38) SLC6A2SLC6A4TDP1MAPTMAPK1
SCHEMBL15495294 0.75 GRM2 (0.43) TDP1MAPTMAPK1GAAATM

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765752-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 — — US disclosed
US-8765752-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 — — US disclosed
US-8765752-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 — — US disclosed
EP-2703394-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 — — EP disclosed
EP-2703394-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 — — EP disclosed
US-8629102-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-01-14 — — US disclosed
US-8629102-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-01-14 — — US disclosed
US-8629102-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-01-14 — — US disclosed
US-8557766-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-10-15 — — US disclosed
US-8557766-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-10-15 — — US disclosed
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 — — US disclosed
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 — — US disclosed
US-20130210721-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-15 — — US disclosed
US-20130210721-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-15 — — US disclosed
US-20130210721-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-15 — — US disclosed
WO-2012147518-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE 持田製薬株式会社 (JP) 2012-11-01 — — WO disclosed
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-11-01 — — US disclosed
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-11-01 — — US disclosed
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-11-01 — — US disclosed
WO-2012046869-A1 CYCLIC AMIDE DERIVATIVE 持田製薬株式会社 (JP) 2012-04-12 — — WO 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 (3 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-20130210721-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 SLC6A2 3435/4885SLC6A4 2529/4885PDE10A 1850/4885
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 SLC6A2 3435/4885SLC6A4 2529/4885PDE10A 1850/4885
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE GPR119, GPR27, GPR65 SLC6A2 3423/4885SLC6A4 2515/4885PDE10A 1800/4885

“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.

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