SCHEMBL4088784

SCHEMBL4088784

COC(=O)CC1CCCN1C

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.44
CHRNA7 P36544 3/20 0.44
CHRNA4 P43681 3/20 0.44
CHRNA5 P30532 2/20 0.44
BRD4 O60885 1/20 0.40

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
SCHEMBL4088779 1.00 CHRNB2 (0.44) CHRNB2CHRNA7CHRNA4CHRNA5BRD4
Hydrochloric Acid SCHEMBL21801537 0.98 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4CHRNA5BRD4
SCHEMBL24872393 0.95 CYP1A2 (0.44) CHRNB2CHRNA7CHRNA4CHRNA5BRD4
SCHEMBL27325877 0.84 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL13662774 0.84 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL15781609 0.80 EPHX2 (0.40) CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL336170 0.80 CHRNB2 (0.45) CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL336171 0.80 CHRNB2 (0.45) CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL6922946 0.80 SMN1; SMN2 (0.45) BRD4
SCHEMBL863635 0.80 SMN1; SMN2 (0.45) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093355-B Preparation method of pyrrole ester compound 河南农业大学 2024-06-04 CN disclosed
CN-116239822-A Preparation method of polymer flame retardant 合肥安邦化工有限公司 2023-06-09 CN disclosed
CN-115093355-A Preparation method of pyrrole ester compound 河南农业大学 2022-09-23 CN disclosed
CN-110655482-A Preparation method of gulconine 四川轻化工大学 2020-01-07 CN disclosed
US-20090270425-A1 3-(DIHYDRO-1H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)-4-PROPOXYBENZENESULFONAMIDE DERIVATIVES AND METHODS OF USE CONCERT PHARMACEUTICALS INC. (US) 2009-10-29 US disclosed
US-20090270425-A1 3-(DIHYDRO-1H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)-4-PROPOXYBENZENESULFONAMIDE DERIVATIVES AND METHODS OF USE CONCERT PHARMACEUTICALS INC. (US) 2009-10-29 US disclosed
WO-2009099620-A1 3-(DIHYDRO-1H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)-4-PROPOXYBENZENESULFONAMIDE DERIVATIVES AND METHODS OF USE CONCERT PHARMACEUTICALS INC. (US) 2009-08-13 WO disclosed
US-20090203763-A1 SUBSTITUTED BENZHYDRYLETHERS AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-13 US disclosed
US-20090197899-A1 3-(Dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide Derivatives and Methods of Use CONCERT PHARMACEUTICALS INC. (US) 2009-08-06 US disclosed
US-20090197899-A1 3-(Dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide Derivatives and Methods of Use CONCERT PHARMACEUTICALS INC. (US) 2009-08-06 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 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 (3 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-20090270425-A1 3-(DIHYDRO-1H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)-4-PROPOXYBENZENESULFONAMIDE DERIVATIVES AND METHODS OF USE PDE5A, PDE3A, PDE3B CHRNB2 2546/4885CHRNA7 2138/4885CHRNA4 1971/4885
US-20090203763-A1 SUBSTITUTED BENZHYDRYLETHERS UGT2B7, CYP3A7, CYP3A43 CHRNB2 3462/4885CHRNA7 2834/4885CHRNA4 3927/4885
US-20090197899-A1 3-(Dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide Derivatives and Methods of Use PDE5A, PDE3A, PDE3B CHRNB2 2546/4885CHRNA7 2138/4885CHRNA4 1971/4885

“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.