SCHEMBL19702913

SCHEMBL19702913

CC(=O)N(c1ccc(C(F)(F)F)cc1)C1CCN(C(=O)COc2ccc(CO)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDH1 P40925 1/20 0.47
MDH2 P40926 1/20 0.47
ENPP2 Q13822 5/20 0.43
SLC6A5 Q9Y345 7/20 0.42
MCHR1 Q99705 2/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.40
MAOB P27338 1/20 0.39

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
SCHEMBL22492924 0.91 HRH3 (0.47) MDH1MDH2MCHR1ALDH1A1GAA
SCHEMBL19702889 0.90 ALDH1A1 (0.52) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL19702876 0.89 POLB (0.46) ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL19702912 0.89 OPRD1 (0.42) MCHR1ALDH1A1GAAMAPTRAB9A
SCHEMBL19702873 0.89 TSHR (0.48) MDH1MDH2ENPP2ALDH1A1GAA
SCHEMBL19702884 0.88 SMN1; SMN2 (0.51) MCHR1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL19703084 0.88 MDH1 (0.48) MDH1MDH2ENPP2SLC6A5MCHR1
SCHEMBL19702293 0.88 MDH1 (0.48) MDH1MDH2ENPP2SLC6A5MCHR1
SCHEMBL19702878 0.88 ALDH1A1 (0.48) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL19702886 0.86 SMN1; SMN2 (0.42) MCHR1ALDH1A1GAAMAPTRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200306248-A1 FORMULATIONS FOR SUBSTITUTED 3-PYRROLIDINES, COMPOSITIONS CONTAINING, AND USES OF, SAME GDD THERAPEUTICS, LLC (US) 2020-10-01 US disclosed
WO-2017214201-A1 FORMULATIONS FOR SUBSTITUTED 3-PYRROLIDINES, COMPOSITIONS CONTAINING, AND USES OF, SAME THESAN PHARMACEUTICALS, INC. (US) 2017-12-14 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-20200306248-A1 FORMULATIONS FOR SUBSTITUTED 3-PYRROLIDINES, COMPOSITIONS CONTAINING, AND USES OF, SAME SLC7A1, ABCG2, SLC46A1 MDH1 300/4885MDH2 577/4885ENPP2 4142/4885

“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.