SCHEMBL6489937

SCHEMBL6489937

O=[N+]([O-])c1cccnc1Oc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 11/20 0.56
ADRB3 P13945 11/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
ATM Q13315 1/20 0.54
LTA4H P09960 1/20 0.43
ADRB2 P07550 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6489934 1.00 ADRB1 (0.56) ADRB1ADRB3MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL6490289 0.99 ADRB1 (0.55) ADRB1ADRB3MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL6490292 0.99 ADRB1 (0.55) ADRB1ADRB3MEN1KMT2ANPC1
SCHEMBL6489069 0.84 ADRB1 (0.58) ADRB1ADRB3ALDH1A1
SCHEMBL6489063 0.84 ADRB1 (0.58) ADRB1ADRB3ALDH1A1
SCHEMBL6489074 0.84 ADRB1 (0.60) ADRB1ADRB3ALDH1A1
Hydrochloric Acid SCHEMBL6486797 0.83 ADRB1 (0.57) ADRB1ADRB3MEN1KMT2AADRB2
Hydrochloric Acid SCHEMBL6480035 0.83 ADRB3 (0.56) ADRB1ADRB3MEN1KMT2AADRB2
Hydrochloric Acid SCHEMBL6480039 0.83 ADRB3 (0.56) ADRB1ADRB3MEN1KMT2AADRB2
Hydrochloric Acid SCHEMBL6480545 0.83 ADRB3 (0.56) ADRB1ADRB3MEN1KMT2AADRB2

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 3/4885MEN1 4437/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 ADRB1 2/4885ADRB3 3/4885MEN1 3735/4885

“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.