SCHEMBL16763402

SCHEMBL16763402

COC(=O)c1coc(COc2cccc(C(NC(=O)OC(C)(C)C)c3ccccc3)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.56
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
ADRB2 P07550 1/20 0.41
PFKFB3 Q16875 1/20 0.40
PTPN1 P18031 2/20 0.40
S1PR3 Q99500 1/20 0.39
CACNA1G O43497 2/20 0.39
ALOX5AP P20292 1/20 0.38

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
SCHEMBL16763400 1.00 CHRM3 (0.56) CHRM3SLC6A2SLC6A4SLC6A3ADRB2
SCHEMBL16763393 0.93 CHRM3 (0.64) CHRM3SLC6A2SLC6A4SLC6A3ADRB2
SCHEMBL16763395 0.93 CHRM3 (0.64) CHRM3SLC6A2SLC6A4SLC6A3ADRB2
SCHEMBL19313600 0.86 CHRM3 (0.51) CHRM3PFKFB3PTPN1S1PR3
SCHEMBL16802395 0.81 CHRM3 (0.43) CHRM3SLC6A2SLC6A4SLC6A3S1PR3
SCHEMBL15772803 0.80 CHRM3 (0.58) CHRM3S1PR3
SCHEMBL15772801 0.80 CHRM3 (0.58) CHRM3S1PR3
SCHEMBL15768180 0.79 CHRM3 (0.63) CHRM3
SCHEMBL14166011 0.79 CHRM3 (0.63) CHRM3
SCHEMBL19304742 0.79 PDE4B (0.44) CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077386-A1 BENZHYDRYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES Chiesi Farmaceutici S.p.A. (IT) 2016-10-12 EP disclosed
US-9145409-B2 Benzhydryl derivatives CHIESI FARMACEUTICI S.P.A (IT) 2015-09-29 US disclosed
WO-2015082619-A1 BENZHYDRYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-11 WO disclosed
US-20150158857-A1 BENZHYDRYL DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-11 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 (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-20150158857-A1 BENZHYDRYL DERIVATIVES PDE4A, PDE4B, PDE3A CHRM3 10/4885SLC6A2 3831/4885SLC6A4 1755/4885

“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.