SCHEMBL20835552

SCHEMBL20835552

OCCCC1(c2cccc(Cl)c2)OCCO1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.39
SLC6A2 P23975 9/20 0.39
SLC6A4 P31645 9/20 0.39
CHRNA1 P02708 7/20 0.39
CHRNB1 P11230 7/20 0.39
CHRNB2 P17787 7/20 0.39
CHRNB4 P30926 7/20 0.39
CHRNA3 P32297 7/20 0.39
CHRNA4 P43681 7/20 0.39
CHRNG P07510 5/20 0.39
CHRND Q07001 5/20 0.39
ICMT O60725 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
HSD11B1 P28845 1/20 0.36
DPP4 P27487 1/20 0.36
CCR2 P41597 1/20 0.35
PIM1 P11309 1/20 0.35

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
SCHEMBL11250979 0.84 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4CHRNA1CHRNB1
SCHEMBL6158800 0.82 TSHR (0.43)
SCHEMBL20835743 0.81 HSD11B1 (0.40) SLC6A3SLC6A2SLC6A4CHRNA1CHRNB1
SCHEMBL20835927 0.79 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4CHRNA1CHRNB1
SCHEMBL11541948 0.79 HTR2C (0.42) SLC6A3SLC6A2SLC6A4CHRNA1CHRNB1
SCHEMBL4613715 0.77 TSHR (0.42)
SCHEMBL27590402 0.71 OPRM1 (0.38)
SCHEMBL9341769 0.71 TSHR (0.45)
SCHEMBL13897208 0.69 SLC6A3 (0.48) SLC6A3SLC6A2SLC6A4CHRNA1CHRNB1
SCHEMBL20835454 0.69 DPP4 (0.33) SLC6A3SLC6A2SLC6A4CHRNA1CHRNB1

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 5 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
WO-2019112024-A1 PYRROLIDINE COMPOUND キッセイ薬品工業株式会社 2019-06-13 WO 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 SLC6A3 648/4885SLC6A2 820/4885SLC6A4 448/4885
US-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR SLC6A3 648/4885SLC6A2 820/4885SLC6A4 448/4885

“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.