SCHEMBL4386808

SCHEMBL4386808

C[C@H](Cc1cccc(C(=O)NCCc2ccccc2)c1)NC[C@@H](O)c1ccc(O)c(CO)c1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.68
▸ ADRA1D P25100 1/20 0.55
▸ CASP3 P42574 1/20 0.52
▸ CASP6 P55212 1/20 0.52

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
SCHEMBL4386803 1.00 ADRB2 (0.68) ADRB2ADRA1DCASP3CASP6
SCHEMBL4384748 0.95 ADRB2 (0.66) ADRB2ADRA1DCASP3CASP6
SCHEMBL4384742 0.95 ADRB2 (0.66) ADRB2ADRA1DCASP3CASP6
SCHEMBL4390059 0.93 ADRB2 (0.61) ADRB2ADRA1D
SCHEMBL4390066 0.93 ADRB2 (0.61) ADRB2ADRA1D
SCHEMBL4393016 0.92 ADRB2 (0.77) ADRB2CASP3CASP6
SCHEMBL4393023 0.92 ADRB2 (0.77) ADRB2CASP3CASP6
SCHEMBL4253627 0.88 ADRB2 (0.85) ADRB2ADRA1D
SCHEMBL4253631 0.88 ADRB2 (0.85) ADRB2ADRA1D
SCHEMBL4384910 0.87 ADRB2 (0.67) ADRB2CASP3CASP6

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-1577291-A1 Phenylethanolamine derivatives as beta-2 agonists Pfizer Limited (GB) 2005-09-21 — — EP claimed
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 731/4885ADRA1D 1054/4885CASP3 2450/4885

“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.

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