SCHEMBL6322116

SCHEMBL6322116

COc1ccc(C(C[C@H](C)N(Cc2ccccc2)C[C@H](O)c2ccc(OCc3ccccc3)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.47
NR3C1 P04150 1/20 0.42
ADRB2 P07550 2/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL6321808 1.00 ADRB3 (0.47) ADRB3NR3C1ADRB2ADRB1
SCHEMBL6321370 0.90 ADRB3 (0.43) ADRB3NR3C1ADRB2ADRB1
SCHEMBL6321365 0.90 ADRB3 (0.43) ADRB3NR3C1ADRB2ADRB1
SCHEMBL6321406 0.86 NR3C1 (0.38) ADRB3NR3C1ADRB2ADRB1
SCHEMBL6321395 0.86 NR3C1 (0.38) ADRB3NR3C1ADRB2ADRB1
SCHEMBL6319950 0.84 KCNH2 (0.42) ADRB3NR3C1ADRB2ADRB1
SCHEMBL6321265 0.84 KCNH2 (0.42) ADRB3NR3C1ADRB2ADRB1
SCHEMBL7079186 0.83 KEAP1 (0.43) ADRB3ADRB2ADRB1
SCHEMBL6321884 0.83 ADRB3 (0.58) ADRB3
SCHEMBL6322651 0.83 ADRB3 (0.58) ADRB3

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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 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 (2 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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885NR3C1 3723/4885ADRB2 3/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885NR3C1 3623/4885ADRB2 3/4885

“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.