SCHEMBL20835537

SCHEMBL20835537

CC(=O)OC1CC(c2cccc(F)c2)NC1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
OPRK1 P41145 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
RECQL P46063 1/20 0.36
F2R P25116 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
PABPC1 P11940 1/20 0.34
RIPK1 Q13546 2/20 0.34
CA1 P00915 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN3A Q9NY46 1/20 0.34

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
SCHEMBL22451606 1.00 PIK3CD (0.40) PIK3CDOPRK1TDP1RECQLF2R
SCHEMBL20835534 1.00 PIK3CD (0.40) PIK3CDOPRK1TDP1RECQLF2R
SCHEMBL22451400 0.83 HTR2A (0.35) PIK3CDOPRK1ALDH1A1CA1KMT2A
SCHEMBL20835371 0.83 HTR2A (0.35) PIK3CDOPRK1ALDH1A1CA1KMT2A
SCHEMBL20835744 0.83 HTR2A (0.35) PIK3CDOPRK1ALDH1A1CA1KMT2A
SCHEMBL22451497 0.83 HTR2A (0.35) PIK3CDOPRK1ALDH1A1CA1KMT2A
SCHEMBL19803650 0.83 HTR2A (0.35) PIK3CDOPRK1ALDH1A1CA1KMT2A
SCHEMBL22451448 0.76 PKM (0.41) RECQLF2RALDH1A1KMT2A
SCHEMBL19803548 0.76 PKM (0.41) RECQLF2RALDH1A1KMT2A
Hydrochloric Acid SCHEMBL20835569 0.75 PKM (0.40) RECQLF2RALDH1A1KMT2A

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 4 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
CN-109476639-B Pyrrolidine derivatives 橘生药品工业股份有限公司 2021-02-26 CN 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 PIK3CD 4144/4885OPRK1 69/4885TDP1 1452/4885
US-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR PIK3CD 4144/4885OPRK1 69/4885TDP1 1452/4885

“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.