SCHEMBL4584676

SCHEMBL4584676

COC(=O)c1ccc(-c2ccc(CCN(C[C@@H](OC3CCCCO3)c3ccccc3)C(=O)OC(C)(C)C)cc2)cc1O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
OXTR P30559 2/20 0.35
AVPR1A P37288 2/20 0.35
MGLL Q99685 2/20 0.35
ADRB3 P13945 10/20 0.34
ADRB1 P08588 5/20 0.34
SLC6A3 Q01959 2/20 0.34

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
SCHEMBL4584673 1.00 PPARG (0.36) PPARGPPARDPPARAOXTRAVPR1A
SCHEMBL1622140 0.92 ADRB3 (0.42) PPARGPPARDPPARAOXTRAVPR1A
SCHEMBL1622138 0.92 ADRB3 (0.42) PPARGPPARDPPARAOXTRAVPR1A
SCHEMBL4584943 0.91 ADRB3 (0.41) ADRB3ADRB1
SCHEMBL4584937 0.91 ADRB3 (0.41) ADRB3ADRB1
SCHEMBL1622754 0.90 ADRB3 (0.41) PPARGPPARDPPARAOXTRAVPR1A
SCHEMBL4584153 0.90 ADRB3 (0.46) ADRB3ADRB1
SCHEMBL4584147 0.90 ADRB3 (0.46) ADRB3ADRB1
SCHEMBL1622756 0.90 ADRB3 (0.41) PPARGPPARDPPARAOXTRAVPR1A
SCHEMBL4584019 0.88 ADRB3 (0.41) PPARGPPARDPPARAADRB3ADRB1

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-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 PPARG 658/4885PPARD 940/4885PPARA 458/4885

“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.