SCHEMBL4014959

SCHEMBL4014959

O=C(Nc1ccc(F)cc1Br)OC1CCN(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 15/20 0.47
CHRM2 P08172 11/20 0.47
CHRM1 P11229 11/20 0.47
CCR3 P51677 1/20 0.44
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
BCHE P06276 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL4983940 0.84 GPR119 (0.48) CHRM3CHRM2CHRM1KMT2A
SCHEMBL4014578 0.84 CHRM3 (0.57) CHRM3BCHEACHE
SCHEMBL22484519 0.79 CHRM2 (0.70) CHRM3CHRM2CHRM1KMT2A
SCHEMBL27623158 0.77 PKM (0.47) KDM4E
SCHEMBL21088423 0.76 CHRM2 (0.70) CHRM3CHRM2CHRM1BCHEALDH1A1
SCHEMBL13398667 0.76 CHRM2 (0.70) CHRM3CHRM2CHRM1BCHEALDH1A1
SCHEMBL3976480 0.74 SCD (0.56)
SCHEMBL13423819 0.74 CHRM3 (0.48) CHRM3CHRM2CHRM1
SCHEMBL6667431 0.72 ACHE (0.57) CHRM3POLBKMT2AKDM4EALDH1A1
SCHEMBL23997341 0.72 HPGD (0.51) POLBKMT2AKDM4EALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074094-A1 SULFONAMIDE DERIVATIVES AS ADRENERGIC AGONISTS AND MUSCARINIC ANTAGONISTS Pfizer Limited (GB) 2009-07-01 EP disclosed
US-20080090873-A1 Sulfonamide derivatives PFIZER INC. 2008-04-17 US disclosed
WO-2008041095-A1 SULFONAMIDE DERIVATIVES AS ADRENERGIC AGONISTS AND MUSCARINIC ANTAGONISTS PFIZER LIMITED (GB) 2008-04-10 WO 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 (1 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-20080090873-A1 Sulfonamide derivatives SULT2A1, SULT1A1, STS CHRM3 2453/4885CHRM2 2874/4885CHRM1 3257/4885

“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.