SCHEMBL6478713

SCHEMBL6478713

NC(=O)c1cc2ccccc2nc1Oc1ccc(C[C@@H](CO)NCC(O)COc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.55
ADRB1 P08588 11/20 0.55
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ADRB2 P07550 1/20 0.39
CNR1 P21554 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
RAB9A P51151 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL6478718 1.00 ADRB3 (0.55) ADRB3ADRB1LMNATDP1ADRB2
SCHEMBL6477531 0.91 ADRB3 (0.57) ADRB3ADRB1ADRB2RAB9ACYP2D6
SCHEMBL6477527 0.91 ADRB3 (0.57) ADRB3ADRB1ADRB2RAB9ACYP2D6
Hydrochloric Acid SCHEMBL6492687 0.83 ADRB1 (0.58) ADRB3ADRB1KDM4ERAB9APDE10A
Hydrochloric Acid SCHEMBL6492690 0.83 ADRB1 (0.58) ADRB3ADRB1KDM4ERAB9APDE10A
SCHEMBL7692855 0.81 ADRB3 (0.55) ADRB3ADRB1LMNATDP1ADRB2
SCHEMBL6480152 0.81 ADRB3 (0.56) ADRB3ADRB1ADRB2CYP2D6
SCHEMBL6487274 0.81 ADRB3 (0.56) ADRB3ADRB1ADRB2RAB9ACYP2D6
SCHEMBL6480154 0.81 ADRB3 (0.56) ADRB3ADRB1ADRB2CYP2D6
SCHEMBL6487279 0.81 ADRB3 (0.56) ADRB3ADRB1ADRB2RAB9ACYP2D6

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 ADRB3 3/4885ADRB1 1/4885LMNA 626/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 ADRB3 3/4885ADRB1 2/4885LMNA 611/4885

“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.