SCHEMBL7604347

SCHEMBL7604347

CC(=O)O[C@H](C)OC(=O)OCC1CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
SLC1A3 P43003 4/20 0.35
SLC1A2 P43004 4/20 0.35
SLC1A1 P43005 4/20 0.35
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ACACB O00763 4/20 0.32
LMNA P02545 1/20 0.32
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
ACACA Q13085 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTGIR P43119 1/20 0.30
PDE4B Q07343 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
SCHEMBL5987690 1.00 TSHR (0.35) TSHRSLC1A3SLC1A2SLC1A1CHRM2
SCHEMBL5987272 1.00 TSHR (0.35) TSHRSLC1A3SLC1A2SLC1A1CHRM2
SCHEMBL16809086 0.84 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1ACACBLMNA
SCHEMBL7603111 0.83 SLC1A3 (0.33) TSHRSLC1A3SLC1A2SLC1A1CHRM2
SCHEMBL5987434 0.83 SLC1A3 (0.33) TSHRSLC1A3SLC1A2SLC1A1CHRM2
SCHEMBL7601640 0.83 SLC1A3 (0.33) TSHRSLC1A3SLC1A2SLC1A1CHRM2
SCHEMBL16805832 0.82 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1LMNAPTGIR
SCHEMBL2739850 0.76 SLC1A3 (0.45) TSHRSLC1A3SLC1A2SLC1A1CHRM2
SCHEMBL2739860 0.75 SLC1A3 (0.46) TSHRSLC1A3SLC1A2SLC1A1LMNA
SCHEMBL7602589 0.75 ALDH1A1 (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R

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 1316/4885SLC1A3 553/4885SLC1A2 1022/4885

“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.