SCHEMBL20835784

SCHEMBL20835784

O=C(CCCOCc1ccccc1)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.47
NPC1 O15118 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
NR4A2 P43354 2/20 0.45
CTNNB1 P35222 2/20 0.44
WNT3A P56704 2/20 0.44
GPR52 Q9Y2T5 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL7809055 0.92 NR4A2 (0.47) BCHENPC1NR4A2CTNNB1WNT3A
SCHEMBL6488590 0.85 TDP1 (0.61) NPC1TDP1CASP3RAB9ASENP8
SCHEMBL7809052 0.83 NR4A2 (0.53) NPC1TDP1CASP3RAB9ASENP8
SCHEMBL21093962 0.83 NPC1 (0.39) NPC1TDP1CASP3RAB9ASENP8
SCHEMBL28680772 0.83 NR4A2 (0.49) NPC1TDP1RAB9ANR4A2GPR52
SCHEMBL21094401 0.81 VNN1 (0.47) NPC1TDP1CASP3RAB9ASENP8
SCHEMBL10472316 0.81 TDP1 (0.61) NPC1TDP1CASP3RAB9ASENP8
SCHEMBL7803908 0.80 GRM5 (0.45) RAB9AFAAHCES2CES1
SCHEMBL29579853 0.78 GPR52 (0.58) NPC1TDP1CASP3RAB9ASENP8
SCHEMBL28128458 0.78 GPR52 (0.58) NPC1TDP1CASP3RAB9ASENP8

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 BCHE 3464/4885NPC1 944/4885TDP1 1452/4885
US-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR BCHE 3464/4885NPC1 944/4885TDP1 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.