SCHEMBL7601640

SCHEMBL7601640

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
TSHR P16473 2/20 0.33
ACACB O00763 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
LMNA P02545 1/20 0.30
GALR3 O60755 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7603111 1.00 SLC1A3 (0.33) SLC1A3SLC1A2SLC1A1TSHRACACB
SCHEMBL5987434 1.00 SLC1A3 (0.33) SLC1A3SLC1A2SLC1A1TSHRACACB
SCHEMBL16809125 0.85 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1LMNA
SCHEMBL16805824 0.83 SLC1A3 (0.33) SLC1A3SLC1A2SLC1A1LMNA
SCHEMBL7604347 0.83 TSHR (0.35) SLC1A3SLC1A2SLC1A1TSHRACACB
SCHEMBL5987272 0.83 TSHR (0.35) SLC1A3SLC1A2SLC1A1TSHRACACB
SCHEMBL5987690 0.83 TSHR (0.35) SLC1A3SLC1A2SLC1A1TSHRACACB
SCHEMBL7603109 0.77 ALDH1A1 (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7606334 0.77 ALDH1A1 (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7602350 0.77 ALDH1A1 (0.46) 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 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 SLC1A3 553/4885SLC1A2 1022/4885SLC1A1 600/4885

“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.