SCHEMBL7604345

SCHEMBL7604345

CC(=O)O[C@H](C)OC(=O)OC1CCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
EPHX1 P07099 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
CYP19A1 P11511 1/20 0.33
NAAA Q02083 2/20 0.32
ACACB O00763 2/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL5987796 1.00 TSHR (0.37) TSHREPHX1CHRM2CHRM4CHRM1
SCHEMBL5987693 1.00 TSHR (0.37) TSHREPHX1CHRM2CHRM4CHRM1
SCHEMBL7606345 0.95 EPHX1 (0.40) TSHREPHX1CYP19A1NAAAHTT
SCHEMBL5986431 0.95 EPHX1 (0.40) TSHREPHX1CYP19A1NAAAHTT
SCHEMBL5987477 0.95 EPHX1 (0.40) TSHREPHX1CYP19A1NAAAHTT
SCHEMBL5987438 0.84 PIK3CD (0.35) TSHRACACB
SCHEMBL5985348 0.84 PIK3CD (0.35) TSHRACACB
SCHEMBL7601636 0.84 PIK3CD (0.35) TSHRACACB
SCHEMBL5987275 0.82 TSHR (0.34) TSHREPHX1CHRM2CHRM4CHRM1
SCHEMBL5986697 0.82 TSHR (0.34) TSHREPHX1CHRM2CHRM4CHRM1

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
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 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 (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-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 TSHR 1316/4885EPHX1 2234/4885CHRM2 171/4885

“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.