SCHEMBL6319503

SCHEMBL6319503

COc1ccc(C(O)(C[C@H](C)NC[C@H](O)COc2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
ADRB3 P13945 7/20 0.56
ADRB2 P07550 4/20 0.56
ADRB1 P08588 3/20 0.56
CYP2D6 P10635 2/20 0.56
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 2/20 0.55
CASR P41180 2/20 0.54
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL6319499 1.00 KMT2A (0.63) KMT2AADRB3ADRB2ADRB1CYP2D6
SCHEMBL6322852 0.92 ADRB2 (0.63) KMT2AADRB3ADRB2ADRB1CYP2D6
SCHEMBL6322846 0.92 ADRB2 (0.63) KMT2AADRB3ADRB2ADRB1CYP2D6
SCHEMBL6323862 0.89 ADRB2 (0.58) KMT2AADRB3ADRB2ADRB1CYP2D6
SCHEMBL6323866 0.89 ADRB2 (0.58) KMT2AADRB3ADRB2ADRB1CYP2D6
SCHEMBL7077354 0.89 KMT2A (0.55) KMT2AADRB3ADRB2ADRB1CYP2D6
SCHEMBL7077357 0.89 KMT2A (0.55) KMT2AADRB3ADRB2ADRB1CYP2D6
SCHEMBL6321801 0.87 ADRB2 (0.52) KMT2AADRB3ADRB2ADRB1CYP2D6
SCHEMBL6319963 0.87 ADRB2 (0.52) KMT2AADRB3ADRB2ADRB1CYP2D6
SCHEMBL6322829 0.86 ADRB2 (0.54) KMT2AADRB3ADRB2ADRB1CYP2D6

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 KMT2A 3075/4885ADRB3 2/4885ADRB2 3/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 KMT2A 3010/4885ADRB3 2/4885ADRB2 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.