SCHEMBL20835644

SCHEMBL20835644

CC(=O)N[C@@H](C)[C@H]1CC[C@@H](c2cccc(F)c2)N1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 2/20 0.39
KCNH2 Q12809 2/20 0.38
SCN3A Q9NY46 1/20 0.38
GRIA4 P48058 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
RIPK1 Q13546 1/20 0.36
ALDH1A1 P00352 3/20 0.35
OPRK1 P41145 1/20 0.35
CYP2C19 P33261 1/20 0.35
SCD5 Q86SK9 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35

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
SCHEMBL19803651 1.00 CALCRL (0.39) CALCRLKCNH2SCN3AGRIA4TDP1
SCHEMBL20843553 1.00 CALCRL (0.39) CALCRLKCNH2SCN3AGRIA4TDP1
SCHEMBL20835647 1.00 CALCRL (0.39) CALCRLKCNH2SCN3AGRIA4TDP1
SCHEMBL22451589 0.80 GRIA4 (0.39) KCNH2SCN3AGRIA4RIPK1
SCHEMBL20843431 0.80 GRIA4 (0.39) KCNH2SCN3AGRIA4RIPK1
SCHEMBL19803456 0.80 GRIA4 (0.39) KCNH2SCN3AGRIA4RIPK1
SCHEMBL20843433 0.80 KCNH2 (0.38) CALCRLKCNH2SCN3AGRIA4TDP1
SCHEMBL20835922 0.80 KCNH2 (0.38) CALCRLKCNH2SCN3AGRIA4TDP1
SCHEMBL19803653 0.80 KCNH2 (0.38) CALCRLKCNH2SCN3AGRIA4TDP1
SCHEMBL20835919 0.80 KCNH2 (0.38) CALCRLKCNH2SCN3AGRIA4TDP1

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 7 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-10995084-B2 Pyrrolidine derivative KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-05-04 US disclosed
CN-109476639-B Pyrrolidine derivatives 橘生药品工业股份有限公司 2021-02-26 CN disclosed
US-20200299273-A1 PYRROLIDINE DERIVATIVE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2020-09-24 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
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 CALCRL 1/4885KCNH2 292/4885SCN3A 742/4885
US-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR CALCRL 1/4885KCNH2 292/4885SCN3A 742/4885

“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.