SCHEMBL6492305

SCHEMBL6492305

OC[C@H](Cc1ccc(Oc2nc3ccccc3s2)cc1)NC[C@H](O)COc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 10/20 0.56
ADRB3 P13945 10/20 0.56
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LTA4H P09960 9/20 0.43
KCNH2 Q12809 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL6492300 1.00 ADRB1 (0.56) ADRB1ADRB3CYP1A2CYP3A4CYP2D6
SCHEMBL6478914 0.84 ADRB3 (0.71) ADRB1ADRB3CYP2D6SMN1; SMN2
SCHEMBL6478911 0.84 ADRB3 (0.71) ADRB1ADRB3CYP2D6SMN1; SMN2
SCHEMBL6479264 0.81 ADRB3 (0.57) ADRB1ADRB3CYP2D6
SCHEMBL6479260 0.81 ADRB3 (0.57) ADRB1ADRB3CYP2D6
SCHEMBL6480152 0.80 ADRB3 (0.56) ADRB1ADRB3CYP2D6SMN1; SMN2
SCHEMBL6487274 0.80 ADRB3 (0.56) ADRB1ADRB3CYP2D6
SCHEMBL6480154 0.80 ADRB3 (0.56) ADRB1ADRB3CYP2D6SMN1; SMN2
SCHEMBL6487279 0.80 ADRB3 (0.56) ADRB1ADRB3CYP2D6
Hydrochloric Acid SCHEMBL6480018 0.79 ADRB3 (0.62) ADRB1ADRB3CYP2D6SMN1; SMN2

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-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 US disclosed
EP-1140849-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000040560-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 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-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 ADRB1 1/4885ADRB3 3/4885CYP1A2 167/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 ADRB1 2/4885ADRB3 3/4885CYP1A2 163/4885

“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.