SCHEMBL20835532

SCHEMBL20835532

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

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.48
PDE5A O76074 1/20 0.43
JAK2 O60674 2/20 0.38
NTRK1 P04629 2/20 0.38
CALCRL Q16602 14/20 0.38

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
SCHEMBL20835372 0.86 RIPK1 (0.51) RIPK1PDE5ACALCRL
SCHEMBL28908005 0.86 RIPK1 (0.51) RIPK1PDE5AJAK2NTRK1CALCRL
SCHEMBL28518941 0.86 RIPK1 (0.47) RIPK1PDE5AJAK2NTRK1CALCRL
SCHEMBL20835474 0.83 CALCRL (0.50) RIPK1PDE5ACALCRL
SCHEMBL20835879 0.83 RIPK1 (0.48) RIPK1PDE5AJAK2NTRK1CALCRL
SCHEMBL20835925 0.83 CALCRL (0.49) RIPK1PDE5ACALCRL
SCHEMBL20835539 0.83 CALCRL (0.49) RIPK1PDE5ACALCRL
SCHEMBL20835601 0.82 CALCRL (0.50) RIPK1PDE5ACALCRL
SCHEMBL20835868 0.81 RIPK1 (0.46) RIPK1PDE5ACALCRL
SCHEMBL20835602 0.80 CALCRL (0.52) RIPK1PDE5ACALCRL

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 RIPK1 1917/4885PDE5A 439/4885JAK2 799/4885
US-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR RIPK1 1917/4885PDE5A 439/4885JAK2 799/4885

“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.