SCHEMBL6322666

SCHEMBL6322666

COc1ccc(C(CC(C)NC[C@H](O)COc2ccc(O)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.70
ADRB2 P07550 9/20 0.67
ADRB1 P08588 6/20 0.67
SLC6A2 P23975 2/20 0.61
PTGS1 P23219 1/20 0.61
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.50
CYP2D6 P10635 2/20 0.49
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A4 P31645 1/20 0.48
CYP2C19 P33261 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL6322674 1.00 ADRB3 (0.70) ADRB3ADRB2ADRB1SLC6A2PTGS1
Hydrochloric Acid SCHEMBL6323970 0.89 ADRB3 (0.60) ADRB3ADRB2ADRB1SLC6A2PTGS1
Hydrochloric Acid SCHEMBL6323975 0.89 ADRB3 (0.60) ADRB3ADRB2ADRB1SLC6A2PTGS1
Oxalic Acid SCHEMBL6321308 0.87 KMT2A (0.62) ADRB3ADRB2ADRB1KMT2AMEN1
Oxalic Acid SCHEMBL6320367 0.87 KMT2A (0.62) ADRB3ADRB2ADRB1KMT2AMEN1
Hydrochloric Acid SCHEMBL6327414 0.82 KMT2A (0.53) ADRB3ADRB2ADRB1KMT2AMEN1
Hydrochloric Acid SCHEMBL6327421 0.82 KMT2A (0.53) ADRB3ADRB2ADRB1KMT2AMEN1
SCHEMBL11284468 0.81 PTGS1 (0.79) ADRB3ADRB2ADRB1SLC6A2PTGS1
Hydrochloric Acid SCHEMBL6320463 0.81 KMT2A (0.55) ADRB3ADRB2ADRB1KMT2AMEN1
Hydrochloric Acid SCHEMBL6320467 0.81 KMT2A (0.55) ADRB3ADRB2ADRB1KMT2AMEN1

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 2/4885ADRB2 3/4885ADRB1 1/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB2 3/4885ADRB1 1/4885

“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.