SCHEMBL6488677

SCHEMBL6488677

NC(=O)c1cc(Oc2ccc(C[C@@H](CO)NCC(O)COc3ccccc3)cc2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 14/20 0.59
ADRB3 P13945 14/20 0.59
ADRB2 P07550 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CNR1 P21554 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
CYP2D6 P10635 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL6488687 1.00 ADRB1 (0.59) ADRB1ADRB3ADRB2TDP1LMNA
SCHEMBL6479640 0.91 ADRB3 (0.48) ADRB1ADRB3ADRB2P2RX3
SCHEMBL6478911 0.84 ADRB3 (0.71) ADRB1ADRB3ADRB2CYP2D6MEN1
SCHEMBL6478914 0.84 ADRB3 (0.71) ADRB1ADRB3ADRB2CYP2D6MEN1
Hydrochloric Acid SCHEMBL6479024 0.84 ADRB3 (0.57) ADRB1ADRB3ADRB2TDP1LMNA
Hydrochloric Acid SCHEMBL6479020 0.84 ADRB3 (0.57) ADRB1ADRB3ADRB2TDP1LMNA
Hydrochloric Acid SCHEMBL6478195 0.83 ADRB3 (0.58) ADRB1ADRB3ADRB2TDP1LMNA
Hydrochloric Acid SCHEMBL6478188 0.83 ADRB3 (0.58) ADRB1ADRB3ADRB2TDP1LMNA
Hydrochloric Acid SCHEMBL6492690 0.81 ADRB1 (0.58) ADRB1ADRB3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6492687 0.81 ADRB1 (0.58) ADRB1ADRB3KDM4EALDH1A1

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-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

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