SCHEMBL21641235

SCHEMBL21641235

CC(=O)OCCOC1CNC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
TBXA2R P21731 1/20 0.38
CHRNA7 P36544 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
GALR3 O60755 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL30772067 0.85 CHRNB2 (0.41) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL30772039 0.85 ALDH1A1 (0.37) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL30772071 0.83 SLC6A1 (0.37) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL11688273 0.81 ALDH1A1 (0.39) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL28882162 0.80 CHRM2 (0.36) TSHRCHRM5CHRM1CHRM3CHRNB2
Acetic Acid SCHEMBL21640535 0.78 CHRNB2 (0.32) ALDH1A1TSHRCHRNB2CHRNB4CHRNA3
Acetic Acid SCHEMBL21641233 0.76 GBA1 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13453027 0.76 NPC1 (0.42) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL30772101 0.74 DRD2 (0.41) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL30772072 0.74 ALDH1A1 (0.34) ALDH1A1TSHRCHRM5CHRM1CHRM3

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
EP-3604305-B1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMA CO LTD (JP) 2024-08-28 EP disclosed
CN-110520422-B Novel pyridonecarboxylic acid derivative or salt thereof 涌永制药株式会社 2023-09-05 CN disclosed
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2022-03-29 US disclosed
US-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2020-02-27 US disclosed
EP-3604305-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Wakunaga Pharmaceutical Co., Ltd. (JP) 2020-02-05 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-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF RAB10, HDAC10, NEK10 ALDH1A1 207/4885TSHR 1378/4885CHRM5 1669/4885
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof RARA, RAB10, RABL6 ALDH1A1 81/4885TSHR 1343/4885CHRM5 1976/4885

“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.