SCHEMBL1622140

SCHEMBL1622140

COC(=O)c1ccc(-c2ccc(CCN(C[C@@H](OC3CCCCO3)c3ccccc3)C(=O)OC(C)(C)C)cc2)cc1C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.42
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
OXTR P30559 2/20 0.34
AVPR1A P37288 2/20 0.34
MGLL Q99685 2/20 0.34
ADRB1 P08588 5/20 0.33

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
SCHEMBL1622138 1.00 ADRB3 (0.42) ADRB3PPARGPPARDPPARAOXTR
SCHEMBL1622565 0.94 ADRB3 (0.42) ADRB3OXTRAVPR1AMGLLADRB1
SCHEMBL1622561 0.94 ADRB3 (0.42) ADRB3OXTRAVPR1AMGLLADRB1
SCHEMBL4584676 0.92 PPARG (0.36) ADRB3PPARGPPARDPPARAOXTR
SCHEMBL4584673 0.92 PPARG (0.36) ADRB3PPARGPPARDPPARAOXTR
SCHEMBL4584943 0.89 ADRB3 (0.41) ADRB3ADRB1
SCHEMBL4584937 0.89 ADRB3 (0.41) ADRB3ADRB1
SCHEMBL4584147 0.88 ADRB3 (0.46) ADRB3ADRB1
SCHEMBL1622756 0.88 ADRB3 (0.41) ADRB3PPARGPPARDPPARAOXTR
SCHEMBL1622754 0.88 ADRB3 (0.41) ADRB3PPARGPPARDPPARAOXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928264-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2011-04-19 US disclosed
US-20080039506-A1 Aminoalcohol Derivatives ASTELLAS PHARMA INC. (JP) 2008-02-14 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-20080039506-A1 Aminoalcohol Derivatives HRH4, HRH2, CBR3 ADRB3 40/4885PPARG 631/4885PPARD 413/4885

“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.