SCHEMBL20835375

SCHEMBL20835375

O=C(O)N1[C@@H](CO)CC[C@H]1c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.44
PDE5A O76074 1/20 0.39
TRPA1 O75762 5/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
JAK2 O60674 2/20 0.39
NTRK1 P04629 2/20 0.39
DRD4 P21917 1/20 0.38
NPC1 O15118 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CALCRL Q16602 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
SCHEMBL20835675 0.86 CALCRL (0.47) RIPK1PDE5AHPGDHTTJAK2
SCHEMBL14563156 0.83 TRPA1 (0.50) RIPK1TRPA1
SCHEMBL28528295 0.83 RIPK1 (0.50) RIPK1PDE5ATRPA1JAK2NTRK1
SCHEMBL4097098 0.82 FFAR2 (0.45) RIPK1TRPA1
SCHEMBL20835825 0.81 RIPK1 (0.44) RIPK1PDE5AHPGDHTTJAK2
SCHEMBL20835925 0.79 CALCRL (0.49) RIPK1PDE5ACALCRL
SCHEMBL20835556 0.78 RIPK1 (0.47) RIPK1PDE5AHPGDHTTDRD4
SCHEMBL21797965 0.78 RIPK1 (0.46) RIPK1PDE5ATRPA1DRD4TDP1
SCHEMBL20835378 0.77 RIPK1 (0.46) RIPK1PDE5AHPGDHTTDRD4
SCHEMBL20835548 0.76 RIPK1 (0.45) RIPK1PDE5AHPGDHTTDRD4

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 439/4885TRPA1 169/4885
US-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR RIPK1 1917/4885PDE5A 439/4885TRPA1 169/4885

“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.