SCHEMBL4157928

SCHEMBL4157928

CC[C@H](c1cccc(N(C(C)C)C(C)C)c1)c1cc(CCOc2ccc(CCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)cc2)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.67
CHRM3 P20309 6/20 0.67
ADRB3 P13945 9/20 0.60
ADRB1 P08588 2/20 0.49

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
SCHEMBL4154422 0.92 ADRB2 (0.67) ADRB2CHRM3ADRB3ADRB1
SCHEMBL524043 0.84 ADRB2 (0.92) ADRB2CHRM3ADRB3ADRB1
SCHEMBL4149830 0.83 ADRB2 (0.59) ADRB2CHRM3ADRB1
SCHEMBL13613082 0.81 ADRB2 (0.80) ADRB2CHRM3ADRB3ADRB1
Succinic Acid SCHEMBL4141474 0.81 ADRB2 (0.86) ADRB2CHRM3ADRB3ADRB1
SCHEMBL4166545 0.81 ADRB2 (0.96) ADRB2CHRM3ADRB3ADRB1
SCHEMBL4160120 0.80 ADRB2 (1.00) ADRB2CHRM3ADRB3ADRB1
SCHEMBL4145062 0.80 ADRB2 (0.83) ADRB2CHRM3ADRB3
SCHEMBL4153768 0.80 ADRB2 (0.99) ADRB2CHRM3ADRB3
SCHEMBL4157910 0.78 ADRB3 (0.78) ADRB2CHRM3ADRB3ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253739-A1 Amine Derivatives PFIZER INC 2009-10-08 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-20090253739-A1 Amine Derivatives HNMT, HRH4, CMA1 ADRB2 93/4885CHRM3 169/4885ADRB3 108/4885

“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.