SCHEMBL20835491

SCHEMBL20835491

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.51
SLC6A3 Q01959 3/20 0.43
SCN3A Q9NY46 2/20 0.42
CYP2C19 P33261 3/20 0.41
NOTUM Q6P988 1/20 0.40
DPP4 P27487 1/20 0.40
HDAC2 Q92769 1/20 0.39
SLC9A1 P19634 2/20 0.39
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
HTT P42858 1/20 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
SCHEMBL7773300 0.83 KCNH2 (0.52) KCNH2SCN3ACYP2C19DPP4
SCHEMBL2038087 0.83 KCNH2 (0.56) KCNH2SLC6A3SCN3ACYP2C19DPP4
SCHEMBL7769177 0.83 KCNH2 (0.52) KCNH2SCN3ACYP2C19DPP4
SCHEMBL7769176 0.83 KCNH2 (0.52) KCNH2SCN3ACYP2C19DPP4
SCHEMBL7775249 0.83 KCNH2 (0.52) KCNH2SCN3ACYP2C19DPP4
SCHEMBL2036845 0.83 SLC6A3 (0.51) KCNH2SLC6A3SCN3ATP53MDM2
SCHEMBL29788146 0.83 SLC6A3 (0.51) KCNH2SLC6A3SCN3ATP53MDM2
SCHEMBL2036846 0.83 SLC6A3 (0.51) KCNH2SLC6A3SCN3ATP53MDM2
SCHEMBL197425 0.82 KCNH2 (0.56) KCNH2SCN3ACYP2C19DPP4
SCHEMBL5696388 0.82 KCNH2 (0.56) KCNH2SCN3ACYP2C19DPP4

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 KCNH2 292/4885SLC6A3 648/4885SCN3A 742/4885
US-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR KCNH2 292/4885SLC6A3 648/4885SCN3A 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.