SCHEMBL6320890

SCHEMBL6320890

COC(=O)CC(NC[C@H](O)COc1ccccc1)c1ccc(OC)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 6/20 0.50
ADRB2 P07550 5/20 0.50
ADRB1 P08588 4/20 0.50
CYP2D6 P10635 1/20 0.50
POLB P06746 2/20 0.49
KMT2A Q03164 3/20 0.48
TNF P01375 2/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 2/20 0.46
ATM Q13315 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL6321005 0.87 ADRB2 (0.58) ADRB3ADRB2ADRB1CYP2D6KMT2A
SCHEMBL6321001 0.87 ADRB2 (0.58) ADRB3ADRB2ADRB1CYP2D6KMT2A
SCHEMBL9015366 0.84 ADRB3 (0.59) ADRB3ADRB2ADRB1CYP2D6KMT2A
SCHEMBL9015351 0.80 ADRB3 (0.57) ADRB3ADRB2ADRB1KMT2A
SCHEMBL9015365 0.80 ADRB3 (0.57) ADRB3ADRB2ADRB1KMT2A
SCHEMBL9015332 0.80 ADRB3 (0.54) ADRB3ADRB2ADRB1CYP2D6KMT2A
SCHEMBL4854018 0.79 TNF (0.53) POLBKMT2ATNFPDE4APDE4B
SCHEMBL9015384 0.79 ADRB3 (0.54) ADRB3ADRB2ADRB1CYP2D6KMT2A
SCHEMBL9015389 0.79 ADRB3 (0.54) ADRB3ADRB2ADRB1CYP2D6KMT2A
SCHEMBL6321443 0.79 KMT2A (0.54) ADRB3ADRB2ADRB1CYP2D6KMT2A

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-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
EP-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO 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.