SCHEMBL6283036

SCHEMBL6283036

O=C1CN(CC(=O)OCc2ccccc2)C(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DDB1 Q16531 2/20 0.46
CRBN Q96SW2 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GLA P06280 1/20 0.44
EPHX2 P34913 1/20 0.43
PKM P14618 1/20 0.43
CDC25B P30305 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3490697 0.82 ALDH1A1 (0.45) MAPK1NPC1GAARAB9ASMN1; SMN2
SCHEMBL25426510 0.82 ALDH1A1 (0.54) MAPK1NPC1GAARAB9ASMN1; SMN2
SCHEMBL9708647 0.77 ALDH1A1 (0.51) MAPK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8769880 0.76 CTRB1 (0.57) MAPK1NPC1GAARAB9ASMN1; SMN2
SCHEMBL8658530 0.76 EPHX2 (0.48) MAPK1NPC1GAARAB9ASMN1; SMN2
SCHEMBL19966273 0.76 ALDH1A1 (0.54) MAPK1NPC1GAARAB9ASMN1; SMN2
SCHEMBL7454009 0.75 ELANE (0.47) MAPK1RAB9AALDH1A1L3MBTL1CYP1A2
SCHEMBL10859364 0.75 ALDH1A1 (0.61) MAPK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17948794 0.74 LMNA (0.56) MAPK1SMN1; SMN2ALDH1A1L3MBTL1CYP1A2
SCHEMBL15447362 0.74 ALDH1A1 (0.45) MAPK1ALDH1A1L3MBTL1DDB1CRBN

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834456-B2 11,13-modified saxitoxins for the treatment of pain SITEONE THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
US-11236097-B2 11,13-modified saxitoxins for the treatment of pain SITEONE THERAPEUTICS, INC. (US) 2022-02-01 US disclosed
US-20200102318-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-04-02 US disclosed
US-6852744-B2 Pyrrolidine derivatives and their use as chymase inhibitor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2005-02-08 US disclosed
US-20040102384-A1 Pyrrolidine derivatives and their use as chymase inhibitor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-05-27 US disclosed
EP-1313730-A1 PYRROLIDINE DERIVATIVES AND THEIR USE AS CHYMASE INHIBITOR Dainippon Pharmaceutical Co., Ltd. (JP) 2003-05-28 EP disclosed
WO-2002018378-A1 PYRROLIDINE DERIVATIVES AND THEIR USE AS CHYMASE INHIBITOR DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 WO 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 (4 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-11236097-B2 11,13-modified saxitoxins for the treatment of pain SCN11A, SCN10A, CACNA1A MAPK1 2772/4885NPC1 3753/4885GAA 3102/4885
US-20040102384-A1 Pyrrolidine derivatives and their use as chymase inhibitor CMA1, CTRL, TPSD1 MAPK1 1233/4885NPC1 1986/4885GAA 134/4885
US-11834456-B2 11,13-modified saxitoxins for the treatment of pain SCN11A, SCN10A, CACNA1A MAPK1 2772/4885NPC1 3753/4885GAA 3102/4885
US-20200102318-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SCN11A, SCN10A, CACNA1A MAPK1 2772/4885NPC1 3753/4885GAA 3102/4885

“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.