SCHEMBL4907976

SCHEMBL4907976

O=C(O)c1cnccc1N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 4/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 4/20 0.46
HTT P42858 1/20 0.46
GSK3A P49840 1/20 0.46
PIK3CA P42336 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PKM P14618 2/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
GSK3B P49841 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43

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
Potassium SCHEMBL30402396 0.98 SMN1; SMN2 (0.49) SMN1; SMN2POLBGAAKDM4EALDH1A1
SCHEMBL29575095 0.88 SMN1; SMN2 (0.47) SMN1; SMN2POLBGAAKDM4EALDH1A1
SCHEMBL18395417 0.88 SMN1; SMN2 (0.47) SMN1; SMN2POLBGAAKDM4EALDH1A1
SCHEMBL353775 0.86 SIRT3 (0.46) SMN1; SMN2POLBKDM4EMAPTHTT
Potassium Ion SCHEMBL18394668 0.85 MAPT (0.47) SMN1; SMN2POLBMAPTHTTGSK3A
SCHEMBL8696589 0.84 CA12 (0.49) SMN1; SMN2KDM4EALDH1A1MAPTCYP3A4
SCHEMBL398926 0.81 KDM4C (0.41) SMN1; SMN2KDM4EALDH1A1MAPTCYP3A4
SCHEMBL4321038 0.79 KDM4E (0.47) POLBKDM4EHPGDMAPTHTT
SCHEMBL3554851 0.77 CDC7 (0.48) SMN1; SMN2POLBKDM4EMAPTHTT
SCHEMBL226006 0.77 ALDH1A1 (0.57) SMN1; SMN2POLBGAAKDM4EALDH1A1

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-117126153-A New coronavirus inhibitor, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2023-11-28 CN disclosed
EP-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 EP disclosed
US-10881666-B2 Combination pharmaceutical agents as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
US-10865215-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-12-15 US disclosed
US-20200223867-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2020-07-16 US disclosed
US-10570153-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-02-25 US disclosed
US-20190192535-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-06-27 US disclosed
WO-2019067864-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-04-04 WO disclosed
US-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 US disclosed
US-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors ASTRAZENECA AB (SE) 2008-10-30 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 (6 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-10865215-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 SMN1; SMN2 627/4885POLB 4513/4885GAA 1755/4885
US-10881666-B2 Combination pharmaceutical agents as RSV inhibitors SERPINB1, FURIN, HIF1AN SMN1; SMN2 709/4885POLB 3263/4885GAA 305/4885
US-10570153-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 SMN1; SMN2 627/4885POLB 4513/4885GAA 1755/4885
US-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors TOP1, TOP2A, TOP2B SMN1; SMN2 4160/4885POLB 4/4885GAA 270/4885
US-20200223867-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS GABRA5, GABRA1, GABBR2 SMN1; SMN2 627/4885POLB 4513/4885GAA 1755/4885
US-20190192535-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS SERPINB1, FURIN, HIF1AN SMN1; SMN2 709/4885POLB 3263/4885GAA 305/4885

“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.