SCHEMBL5379779

SCHEMBL5379779

CCOC(=O)C=C1CCCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.45
GRM5 P41594 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 1/20 0.40
USP2 O75604 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ESR2 Q92731 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.37

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
SCHEMBL29052706 1.00 ADORA1 (0.45) ADORA1GRM5SMN1; SMN2RECQLHPGD
SCHEMBL5379778 1.00 ADORA1 (0.45) ADORA1GRM5SMN1; SMN2RECQLHPGD
SCHEMBL803581 0.95 ADORA1 (0.48) ADORA1GRM5SMN1; SMN2RECQLUSP2
SCHEMBL4710869 0.90 ADORA1 (0.45) ADORA1GRM5SMN1; SMN2RECQLHPGD
SCHEMBL4710868 0.90 ADORA1 (0.45) ADORA1GRM5SMN1; SMN2RECQLHPGD
SCHEMBL4710867 0.90 ADORA1 (0.45) ADORA1GRM5SMN1; SMN2RECQLHPGD
SCHEMBL22679830 0.87 ADORA1 (0.52) ADORA1GRM5SMN1; SMN2RECQLUSP2
SCHEMBL1900963 0.87 ADORA1 (0.52) ADORA1GRM5SMN1; SMN2RECQLUSP2
SCHEMBL2355722 0.87 ADORA1 (0.52) ADORA1GRM5SMN1; SMN2RECQLUSP2
SCHEMBL30793314 0.86 ADORA1 (0.44) ADORA1GRM5SMN1; SMN2RECQLHPGD

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
CN-116600813-A Phosphonates as ENPP1 and CDNP inhibitors 斯汀格瑞治疗股份有限公司 2023-08-15 CN disclosed
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-7164024-B2 Muscarinic acetylcholine receptor antagonist; Parkinson's disease; dystonia; analgesics; irritable bowel syndrome BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-16 US disclosed
US-20040147506-A1 Benzimidazolone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-07-29 US disclosed
EP-1386920-A1 BENZIMIDAZOLONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-02-04 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-20040147506-A1 Benzimidazolone derivatives HRH2, CCKAR, HRH4 ADORA1 303/4885GRM5 608/4885SMN1; SMN2 1070/4885
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 ADORA1 2687/4885GRM5 2068/4885SMN1; SMN2 4261/4885

“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.