SCHEMBL20835577

SCHEMBL20835577

CC(C)(C)OC(=O)N1[C@@H](C(=O)O)CC[C@H]1c1cc(F)cc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 5/20 0.51
RIPK1 Q13546 2/20 0.40
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
DPP4 P27487 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ABCB1 P08183 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL28518933 0.90 FFAR2 (0.41) FFAR2RIPK1CHRM2CHRM1CHRM3
SCHEMBL31479247 0.88 RIPK1 (0.50) FFAR2RIPK1
SCHEMBL21093668 0.88 RIPK1 (0.50) FFAR2RIPK1
SCHEMBL28520937 0.88 FFAR2 (0.40) FFAR2RIPK1CHRM2CHRM1CHRM3
SCHEMBL2587508 0.84 FFAR2 (0.38) FFAR2RIPK1CHRM2CHRM1CHRM3
SCHEMBL28526542 0.83 FFAR2 (0.40) FFAR2RIPK1CHRM2CHRM1CHRM3
SCHEMBL6183606 0.83 FFAR2 (0.51) FFAR2RIPK1ABCB1
SCHEMBL859599 0.83 FFAR2 (0.51) FFAR2RIPK1ABCB1
SCHEMBL5156869 0.83 FFAR2 (0.51) FFAR2RIPK1ABCB1
SCHEMBL475745 0.83 FFAR2 (0.51) FFAR2RIPK1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995084-B2 Pyrrolidine derivative KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-05-04 US disclosed
US-20200299273-A1 PYRROLIDINE DERIVATIVE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2020-09-24 US disclosed
EP-3459941-A1 PYRROLIDINE DERIVATIVE Kissei Pharmaceutical Co., Ltd. (JP) 2019-03-27 EP 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 (2 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-20200299273-A1 PYRROLIDINE DERIVATIVE CALCRL, NPY1R, GRPR FFAR2 634/4885RIPK1 1917/4885CHRM2 340/4885
US-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR FFAR2 634/4885RIPK1 1917/4885CHRM2 340/4885

“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.