SCHEMBL4802107

SCHEMBL4802107

CCOC(=O)COc1ccc(C2CCC(NC[C@H](O)COc3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.47
ADRB1 P08588 4/20 0.45
ADRB2 P07550 2/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4802116 1.00 ADRB3 (0.47) ADRB3ADRB1ADRB2POLBLMNA
SCHEMBL2294588 0.90 ADRB3 (0.49) ADRB3ADRB1ADRB2MAPT
SCHEMBL12380677 0.90 ADRB3 (0.49) ADRB3ADRB1ADRB2MAPT
SCHEMBL5264326 0.90 ADRB3 (0.49) ADRB3ADRB1ADRB2MAPT
SCHEMBL5261882 0.90 ADRB3 (0.49) ADRB3ADRB1ADRB2MAPT
SCHEMBL4804960 0.90 ADRB3 (0.50) ADRB3ADRB1ADRB2LMNAMEN1
SCHEMBL4804931 0.90 ADRB3 (0.50) ADRB3ADRB1ADRB2LMNAMEN1
Hydrochloric Acid SCHEMBL2294584 0.90 ADRB3 (0.48) ADRB3ADRB1ADRB2LMNAMEN1
SCHEMBL4805686 0.87 ADRB3 (0.54) ADRB3ADRB1ADRB2
SCHEMBL4805693 0.87 ADRB3 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7453010-B2 Phenylcyclohexylpropanolamine derivatives, preparation and therapeutic application thereof SANOFI AVENTIS (FR) 2008-11-18 US disclosed
US-20060100283-A1 Phenylcyclohexylpropanolamine derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2006-05-11 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-20060100283-A1 Phenylcyclohexylpropanolamine derivatives, preparation and therapeutic application thereof CHRM1, CHRM2, C1R ADRB3 22/4885ADRB1 29/4885ADRB2 35/4885

“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.