SCHEMBL1844201

SCHEMBL1844201

COc1ccc2c(c1)[C@H](C(=O)O)CCC2

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.56
MTNR1B P49286 6/20 0.53
MTNR1A P48039 6/20 0.52
NQO2 P16083 4/20 0.51
C5AR1 P21730 2/20 0.50
GPR183 P32249 1/20 0.49
ADGRF1 Q5T601 1/20 0.49
GPR65 Q8IYL9 1/20 0.49
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL1842659 1.00 SIRT1 (0.56) SIRT1MTNR1BMTNR1ANQO2C5AR1
SCHEMBL1844488 1.00 SIRT1 (0.56) SIRT1MTNR1BMTNR1ANQO2C5AR1
SCHEMBL30695338 1.00 SIRT1 (0.56) SIRT1MTNR1BMTNR1ANQO2C5AR1
Hydrochloric Acid SCHEMBL1846869 0.99 SIRT1 (0.55) SIRT1MTNR1BMTNR1ANQO2C5AR1
SCHEMBL30746730 0.91 MTNR1A (0.56) MTNR1BMTNR1ANQO2
SCHEMBL1842495 0.91 MTNR1A (0.56) MTNR1BMTNR1ANQO2
Hydrochloric Acid SCHEMBL9628615 0.90 MTNR1A (0.54) MTNR1BMTNR1ANQO2
SCHEMBL1844672 0.88 SIRT1 (0.53) SIRT1
SCHEMBL5847603 0.87 MTNR1A (0.54) MTNR1BMTNR1ANQO2C5AR1GPR183
SCHEMBL3714922 0.87 MTNR1B (0.52) MTNR1BMTNR1ANQO2C5AR1GPR183

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
EP-1318140-B9 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-05-21 EP disclosed
US-8198454-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US disclosed
EP-1318140-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-05-18 EP disclosed
US-7855297-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-21 US disclosed
US-20100041656-A1 Novel amide derivatives and medicinal use thereof NAKAMURA MITSUBARU 2010-02-18 US disclosed
US-7034051-B2 Fused bicyclic carboxamide derivatives and methods of their use ADOLOR CORPORATION (US) 2006-04-25 US disclosed
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-03-10 US disclosed
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-15 US disclosed
EP-1318140-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF UGS Mitsubishi Pharma Corporation (JP) 2003-06-11 EP 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-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 SIRT1 565/4885MTNR1B 1428/4885MTNR1A 1044/4885
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CPS1 SIRT1 178/4885MTNR1B 2290/4885MTNR1A 3015/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S SIRT1 817/4885MTNR1B 1754/4885MTNR1A 1328/4885

“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.