SCHEMBL6319963

SCHEMBL6319963

COc1ccc(C(O)(CC(C)NC[C@H](O)COc2ccccc2)c2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.52
ADRB1 P08588 3/20 0.52
ADRB3 P13945 3/20 0.52
CYP2D6 P10635 2/20 0.52
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.51
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTR1A P08908 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
DPP4 P27487 1/20 0.43
CASR P41180 1/20 0.43

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
SCHEMBL6321801 1.00 ADRB2 (0.52) ADRB2ADRB1ADRB3CYP2D6KMT2A
SCHEMBL7077357 0.87 KMT2A (0.55) ADRB2ADRB1ADRB3CYP2D6KMT2A
SCHEMBL7077354 0.87 KMT2A (0.55) ADRB2ADRB1ADRB3CYP2D6KMT2A
SCHEMBL6319503 0.87 KMT2A (0.63) ADRB2ADRB1ADRB3CYP2D6KMT2A
SCHEMBL6319499 0.87 KMT2A (0.63) ADRB2ADRB1ADRB3CYP2D6KMT2A
SCHEMBL6322846 0.85 ADRB2 (0.63) ADRB2ADRB1ADRB3CYP2D6KMT2A
SCHEMBL6322852 0.85 ADRB2 (0.63) ADRB2ADRB1ADRB3CYP2D6KMT2A
SCHEMBL6323866 0.83 ADRB2 (0.58) ADRB2ADRB1ADRB3CYP2D6KMT2A
SCHEMBL6323862 0.83 ADRB2 (0.58) ADRB2ADRB1ADRB3CYP2D6KMT2A
SCHEMBL6321443 0.82 KMT2A (0.54) ADRB2ADRB1ADRB3CYP2D6KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6906075-B2 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues NEUROGEN CORP. (US) 2005-06-14 US disclosed
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

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 ADRB2 3/4885ADRB1 1/4885ADRB3 2/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 ADRB2 3/4885ADRB1 1/4885ADRB3 2/4885

“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.