SCHEMBL6914778

SCHEMBL6914778

CC(=O)Oc1cccc2c(CC(C)NCC(O)COc3ccccc3)c[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.51
ADRB1 P08588 10/20 0.51
ADRB2 P07550 10/20 0.51
CYP2D6 P10635 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6914248 0.93 ADRB3 (0.53) ADRB3ADRB1ADRB2
SCHEMBL6914158 0.89 ADRB3 (0.52) ADRB3ADRB1ADRB2CYP2D6ALDH1A1
SCHEMBL6914776 0.89 ADRB3 (0.65) ADRB3ADRB1ADRB2
SCHEMBL6913440 0.86 ADRB3 (0.66) ADRB3ADRB1ADRB2CYP2D6MEN1
SCHEMBL6914240 0.83 ADRB3 (0.62) ADRB3ADRB1ADRB2
SCHEMBL6907204 0.81 ADRB3 (0.63) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL6911769 0.79 ADRB3 (0.54) ADRB3ADRB1ADRB2
SCHEMBL6914156 0.79 ADRB3 (0.67) ADRB3ADRB1ADRB2
SCHEMBL6906589 0.77 ADRB3 (0.52) ADRB3ADRB1ADRB2
SCHEMBL7765020 0.77 ADRB3 (0.55) ADRB3ADRB1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242485-A1 Compositions and methods for the amelioration of leptin resistance KADOWAKI TAKASHI (JP) 2004-12-02 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 (1 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-20040242485-A1 Compositions and methods for the amelioration of leptin resistance ADIPOR1, FABP4, ADIPOR2 ADRB3 6/4885ADRB1 11/4885ADRB2 17/4885

“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.