SCHEMBL20835449

SCHEMBL20835449

Cc1cccc([C@@H]2CC[C@H](C(=O)O)N2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.51
HTR2C P28335 2/20 0.44
CYP2C19 P33261 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SCN3A Q9NY46 3/20 0.42
HDAC4 P56524 1/20 0.41
DPP4 P27487 1/20 0.40
NOTUM Q6P988 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
S1PR4 O95977 2/20 0.38
S1PR1 P21453 2/20 0.38
S1PR5 Q9H228 2/20 0.38
S1PR3 Q99500 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PPARG P37231 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL31369670 1.00 KCNH2 (0.51) KCNH2HTR2CCYP2C19MEN1KMT2A
SCHEMBL8871030 1.00 KCNH2 (0.51) KCNH2HTR2CCYP2C19MEN1KMT2A
SCHEMBL8871025 1.00 KCNH2 (0.51) KCNH2HTR2CCYP2C19MEN1KMT2A
SCHEMBL7773300 0.83 KCNH2 (0.52) KCNH2CYP2C19SCN3ADPP4
SCHEMBL7769177 0.83 KCNH2 (0.52) KCNH2CYP2C19SCN3ADPP4
SCHEMBL7769176 0.83 KCNH2 (0.52) KCNH2CYP2C19SCN3ADPP4
SCHEMBL7775249 0.83 KCNH2 (0.52) KCNH2CYP2C19SCN3ADPP4
SCHEMBL2038087 0.83 KCNH2 (0.56) KCNH2CYP2C19SCN3ADPP4S1PR4
SCHEMBL135106 0.82 KCNH2 (0.56) KCNH2CYP2C19SCN3ADPP4S1PR4
SCHEMBL5696388 0.82 KCNH2 (0.56) KCNH2CYP2C19SCN3ADPP4S1PR4

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 292/4885HTR2C 702/4885CYP2C19 1914/4885
US-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR KCNH2 292/4885HTR2C 702/4885CYP2C19 1914/4885

“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.