SCHEMBL20835528

SCHEMBL20835528

CCOC(=O)/C=C/C(C)(C)[C@H]1CC[C@@H](c2cccc(F)c2)N1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 12/20 0.42
RIPK1 Q13546 2/20 0.41
DRD4 P21917 1/20 0.38
KCNQ2 O43526 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE5A O76074 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL21093662 0.90 RIPK1 (0.41) CALCRLRIPK1DRD4KCNQ2BCHE
SCHEMBL20835772 0.83 RIPK1 (0.44) CALCRLRIPK1BCHEACHELMNA
SCHEMBL20835601 0.82 CALCRL (0.50) CALCRLRIPK1DRD4KCNQ2PDE5A
SCHEMBL20835879 0.81 RIPK1 (0.48) CALCRLRIPK1DRD4KCNQ2PDE5A
SCHEMBL20835636 0.80 CALCRL (0.42) CALCRLRIPK1BCHEACHEPDE5A
SCHEMBL28908005 0.78 RIPK1 (0.51) CALCRLRIPK1PKMPDE5AALDH1A1
SCHEMBL20835372 0.78 RIPK1 (0.51) CALCRLRIPK1PDE5A
SCHEMBL20835925 0.77 CALCRL (0.49) CALCRLRIPK1PDE5A
SCHEMBL20835539 0.77 CALCRL (0.49) CALCRLRIPK1PDE5A
SCHEMBL20835474 0.75 CALCRL (0.50) CALCRLRIPK1PDE5A

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 CALCRL 1/4885RIPK1 1917/4885DRD4 249/4885
US-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR CALCRL 1/4885RIPK1 1917/4885DRD4 249/4885

“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.