SCHEMBL22451402

SCHEMBL22451402

CC(C)(C#N)C1CC[C@@H](c2cc(F)cc(F)c2)N1C(=O)CN

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.49
RIPK1 Q13546 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
SCHEMBL19803592 1.00 CALCRL (0.49) CALCRLRIPK1
SCHEMBL22441102 1.00 CALCRL (0.49) CALCRLRIPK1
SCHEMBL22451404 0.89 CALCRL (0.53) CALCRLRIPK1
SCHEMBL20843447 0.89 CALCRL (0.53) CALCRLRIPK1
SCHEMBL19803596 0.89 CALCRL (0.53) CALCRLRIPK1
SCHEMBL20835829 0.87 CALCRL (0.47) CALCRLRIPK1
SCHEMBL20843505 0.86 CALCRL (0.54) CALCRL
SCHEMBL20835821 0.83 CALCRL (0.50) CALCRL
SCHEMBL22451425 0.83 CALCRL (0.50) CALCRL
SCHEMBL20835819 0.83 CALCRL (0.50) CALCRL

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-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

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

“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.