SCHEMBL2077091

SCHEMBL2077091

CC(=O)OC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
CHRM2 P08172 6/20 0.36
CHRM1 P11229 4/20 0.36
CHRM4 P08173 3/20 0.36
CHRM3 P20309 3/20 0.36
CHRM5 P08912 2/20 0.36
PIK3CD O00329 1/20 0.36
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
PDE4D Q08499 1/20 0.32

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
Hydrochloric Acid SCHEMBL27781343 0.98 KAT2B (0.40) KAT2BBAZ2BCHRM2CHRM1CHRM4
Cyclopropane SCHEMBL5316733 0.96 KAT2B (0.39) KAT2BBAZ2BCHRM2CHRM1CHRM4
SCHEMBL28586197 0.87 CYP19A1 (0.40) KAT2BBAZ2BCHRM2CHRM1CHRM4
SCHEMBL2603677 0.86
SCHEMBL836642 0.86
SCHEMBL8224670 0.86
SCHEMBL177205 0.82
SCHEMBL12476221 0.82 CHRM2 (0.42) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL1023586 0.80 KAT2B (0.43) KAT2BBAZ2BPIK3CDL3MBTL1HRH3
Ammonia Solution, Strong SCHEMBL28770241 0.79

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 130 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774750-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2021-02-17 EP claimed
WO-2019192506-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2019-10-10 WO claimed
CN-109152711-A Method for producing perfume capsules with improved surfactant stability 西姆莱斯股份公司 2019-01-04 CN claimed
JP-4216713-B2 2009-01-28 JP claimed
EP-1404324-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2004-12-22 EP claimed
JP-2004536873-A 2004-12-09 JP claimed
EP-1404324-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2004-04-07 EP claimed
WO-2002100347-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2002-12-19 WO claimed
WO-2024030960-A2 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS Kojin Therapeutics, Inc. (US) 2024-02-08 WO disclosed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-20230271938-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CAPELLA THERAPEUTICS, INC. 2023-08-31 US disclosed
CN-109195959-B Tetrahydropyranyl lower alkyl esters and preparation using ketene compounds 巴斯夫欧洲公司 2023-08-18 CN disclosed
CN-116033897-A Phenol derivatives 住友制药株式会社 2023-04-28 CN disclosed
WO-2005000842-A1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMAN-LA ROCHE AG (CH) 2005-01-06 WO disclosed
EP-1404324-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2004-12-22 EP disclosed
US-20040235915-A1 Benzothiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 US disclosed
EP-1404324-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2004-04-07 EP disclosed
WO-2002100347-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2002-12-19 WO disclosed
US-4791098-A 2-methyl-3-(p-methylphenyl)propionitrile, preparation and use thereof as scent BASF AKTIENGESELLSCHAFT (DE) 1988-12-13 US 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-20040235915-A1 Benzothiazole derivatives ADORA1, ADORA2A, ADORA3 KAT2B 3220/4885BAZ2B 3243/4885CHRM2 162/4885
US-20230271938-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CHKB, CHKA, CHUK KAT2B 247/4885BAZ2B 375/4885CHRM2 4709/4885

“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.