SCHEMBL6328531

SCHEMBL6328531

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.42
ADRB3 P13945 11/20 0.41
CYP19A1 P11511 2/20 0.41
ADRB2 P07550 2/20 0.39
ADRB1 P08588 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
F7 P08709 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.38
AR P10275 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL7769483 0.81 ADRB3 (0.45) ADRB3CYP19A1ADRB2ADRB1KDM4E
SCHEMBL6328526 0.79 ADRB3 (0.46) ADRB3CYP19A1ADRB2ADRB1ALDH1A1
SCHEMBL7079184 0.79 ADRB3 (0.45) TRPV1ADRB3ADRB2ADRB1
SCHEMBL7769485 0.77 ADRB3 (0.49) ADRB3CYP19A1ADRB2ADRB1
SCHEMBL6321884 0.77 ADRB3 (0.58) ADRB3
SCHEMBL6322651 0.77 ADRB3 (0.58) ADRB3
SCHEMBL7079186 0.76 KEAP1 (0.43) ADRB3CYP19A1ADRB2ADRB1NPC1
SCHEMBL6322913 0.75 ADRB3 (0.61) ADRB3ADRB2ADRB1
SCHEMBL6322905 0.75 ADRB3 (0.61) ADRB3ADRB2ADRB1
SCHEMBL6322116 0.74 ADRB3 (0.47) ADRB3ADRB2ADRB1

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 TRPV1 253/4885ADRB3 2/4885CYP19A1 2342/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 TRPV1 282/4885ADRB3 2/4885CYP19A1 2382/4885

“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.