SCHEMBL7604349

SCHEMBL7604349

COC(=O)O[C@H](OC(C)=O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.41
TRPV1 Q8NER1 1/20 0.37
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GALR3 O60755 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
CA12 O43570 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL5987579 1.00 TSHR (0.46) TSHRALDH1A1TRPV1CHRM2CHRM4
SCHEMBL5987835 1.00 TSHR (0.46) TSHRALDH1A1TRPV1CHRM2CHRM4
SCHEMBL5987004 0.87 TSHR (0.58) TSHRALDH1A1TRPV1CHRM2CHRM4
SCHEMBL5987800 0.84 TSHR (0.56) TSHRTRPV1CHRM2CHRM4CHRM1
SCHEMBL7602354 0.84 TSHR (0.56) TSHRTRPV1CHRM2CHRM4CHRM1
SCHEMBL5987269 0.84 TSHR (0.56) TSHRTRPV1CHRM2CHRM4CHRM1
SCHEMBL16809123 0.80 SMN1; SMN2 (0.37) TSHRALDH1A1SMN1; SMN2CA12CA14
SCHEMBL9625694 0.80 TSHR (0.50) TSHRALDH1A1TRPV1CHRM2CHRM4
SCHEMBL7603109 0.79 ALDH1A1 (0.46) TSHRALDH1A1TRPV1CHRM2CHRM4
SCHEMBL7606501 0.79 TSHR (0.39) TSHRTRPV1CHRM2CHRM4CHRM1

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 4 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

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 1316/4885ALDH1A1 484/4885TRPV1 2161/4885

“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.