SCHEMBL22639802

SCHEMBL22639802

CC(C)NC[C@@H](O)COCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.62
ADRB1 P08588 6/20 0.62
ADRB3 P13945 4/20 0.62
CYP2D6 P10635 1/20 0.62
CA1 P00915 3/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
CASR P41180 1/20 0.54
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53

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
SCHEMBL9782591 1.00 ADRB2 (0.62) ADRB2ADRB1ADRB3CYP2D6CA1
SCHEMBL11067846 1.00 ADRB2 (0.62) ADRB2ADRB1ADRB3CYP2D6CA1
SCHEMBL23751082 0.83 CA1 (0.62) ADRB1CA1CA2CA7CA9
SCHEMBL22574150 0.83 CA1 (0.62) ADRB1CA1CA2CA7CA9
SCHEMBL15623805 0.83 ADRB2 (0.50) ADRB2ADRB1ADRB3CYP2D6CA1
SCHEMBL10814311 0.82 ADRB2 (0.78) ADRB2ADRB1ADRB3CYP2D6PTGS1
SCHEMBL10814431 0.82 ADRB2 (0.78) ADRB2ADRB1ADRB3CYP2D6PTGS1
SCHEMBL10814305 0.82 ADRB2 (0.78) ADRB2ADRB1ADRB3CYP2D6PTGS1
Hydrochloric Acid SCHEMBL11684567 0.81 ADRB2 (0.76) ADRB2ADRB1ADRB3CYP2D6PTGS1
Hydrochloric Acid SCHEMBL11593853 0.81 ADRB2 (0.76) ADRB2ADRB1ADRB3CYP2D6PTGS1

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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-11-10 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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect VIM, MATR3, TP53 ADRB2 4055/4885ADRB1 4181/4885ADRB3 3382/4885

“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.