SCHEMBL4864624

SCHEMBL4864624

O=C(O)N1CC=C(c2cccc(O)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 2/20 0.52
ALOX15 P16050 2/20 0.52
RAB9A P51151 2/20 0.52
TSHR P16473 1/20 0.52
QDPR P09417 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 4/20 0.48
KDM4E B2RXH2 2/20 0.48
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 2/20 0.46
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 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
SCHEMBL5959136 0.87 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2241959 0.86 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL16113804 0.85 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3993976 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5373499 0.84 MAPT (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL16496703 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL901957 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL21228135 0.83 MEN1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL20993989 0.83 QDPR (0.57) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL28811687 0.83 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115867546-A Salts and crystalline forms of GLP-1R agonists and uses thereof 上海齐鲁锐格医药研发有限公司 2023-03-28 CN disclosed
CN-111094300-B Benzo-heteroaryl derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-09-16 CN disclosed
WO-2021259309-A1 GLP-1 RECEPTOR AGONIST, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 广州市恒诺康医药科技有限公司 2021-12-30 WO disclosed
CN-113227068-A GLP-1R agonists and uses thereof 上海齐鲁锐格医药研发有限公司 2021-08-06 CN disclosed
CN-111094300-A Benzo-heteroaryl derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2020-05-01 CN disclosed
US-10301299-B2 Glycosidase inhibitors MERCK PATENT GMBH (DE) 2019-05-28 US disclosed
EP-2970272-A1 GLYCOSIDASE INHIBITORS Merck Patent GmbH (DE) 2016-01-20 EP disclosed
WO-2014159234-A1 GLYCOSIDASE INHIBITORS MERCK PATENT GMBH (DE) 2014-10-02 WO disclosed
US-7338965-B2 3,4-disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines PHARMACIA & UPJOHN COMPANY (US) 2008-03-04 US disclosed
US-20040034031-A1 3,4-Disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines ELAN PHARMACEUTICALS, INC. 2004-02-19 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-10301299-B2 Glycosidase inhibitors GAA, BACE1, GBA3 ALDH1A1 620/4885SMN1; SMN2 1348/4885MEN1 3113/4885
US-20040034031-A1 3,4-Disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines BACE1, APP, BACE2 ALDH1A1 1490/4885SMN1; SMN2 2559/4885MEN1 3512/4885

“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.