SCHEMBL4390547

SCHEMBL4390547

C[C@H](Cc1cccc(CC(=O)NCC2CCCCCC2)c1)NC[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(O)c(CO)c1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.56
NPC1 O15118 1/20 0.43
CHRM3 P20309 1/20 0.36

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
SCHEMBL4385332 1.00 ADRB2 (0.56) ADRB2NPC1CHRM3
SCHEMBL4390551 1.00 ADRB2 (0.56) ADRB2NPC1CHRM3
SCHEMBL4385335 1.00 ADRB2 (0.56) ADRB2NPC1CHRM3
SCHEMBL4385654 0.99 ADRB2 (0.55) ADRB2NPC1CHRM3
SCHEMBL4385655 0.99 ADRB2 (0.55) ADRB2NPC1CHRM3
SCHEMBL4392221 0.98 ADRB2 (0.54) ADRB2NPC1CHRM3
SCHEMBL4392224 0.98 ADRB2 (0.54) ADRB2NPC1CHRM3
SCHEMBL4384879 0.96 ADRB2 (0.56) ADRB2NPC1
SCHEMBL4384875 0.96 ADRB2 (0.56) ADRB2NPC1
SCHEMBL4388455 0.94 ADRB2 (0.53) ADRB2CHRM3

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
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-20050234097-A1 Compounds useful for the treatment of diseases PFIZER INC 2005-10-20 US disclosed
EP-1577291-A1 Phenylethanolamine derivatives as beta-2 agonists Pfizer Limited (GB) 2005-09-21 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 (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-20050234097-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B2, CYP11B1 ADRB2 731/4885NPC1 234/4885CHRM3 692/4885

“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.