SCHEMBL2428880

SCHEMBL2428880

COC1=CC(=O)N[C@H]1CC(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
GAA P10253 3/20 0.33
HTT P42858 1/20 0.33
PAX8 Q06710 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LARS1 Q9P2J5 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL17079907 0.74 GAA (0.35) ALDH1A1GAAHTTPAX8MEN1
SCHEMBL29227046 0.74 ALDH1A1 (0.34) ALDH1A1
SCHEMBL20734815 0.74 MAOB (0.36) MEN1KMT2A
SCHEMBL20734816 0.74 MAOB (0.36) MEN1KMT2A
SCHEMBL20734845 0.70 CNR2 (0.39) ALDH1A1GAAMEN1KMT2A
SCHEMBL20734844 0.70 CNR2 (0.39) ALDH1A1GAAMEN1KMT2A
SCHEMBL20735040 0.69 SMN1; SMN2 (0.37) ALDH1A1HTTKMT2ALMNACYP3A4
SCHEMBL20734938 0.69 SMN1; SMN2 (0.37) ALDH1A1HTTKMT2ALMNACYP3A4
SCHEMBL12291600 0.66 AR (0.33) ABCG2
SCHEMBL163425 0.65 MEN1 (0.41) GAAHTTPAX8MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170239216-A1 SMALL MOLECULE INHIBITORS OF N-TERMINUS ACTIVATION OF THE ANDROGEN RECEPTOR THE UNITED STATES GOVERNMENT 2017-08-24 US disclosed
US-9487479-B2 Small molecule inhibitors of N-terminus activation of the androgen receptor THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-11-08 US disclosed
US-9487479-B2 Small molecule inhibitors of N-terminus activation of the androgen receptor THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-11-08 US disclosed
US-9487479-B2 Small molecule inhibitors of N-terminus activation of the androgen receptor THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-11-08 US disclosed
EP-2331501-B1 SMALL MOLECULE INHIBITORS OF N-TERMINUS ACTIVATION OF THE ANDROGEN RECEPTOR BRITISH COLUMBIA CANCER AGENCY (CA) 2016-07-20 EP disclosed
EP-2331501-B1 SMALL MOLECULE INHIBITORS OF N-TERMINUS ACTIVATION OF THE ANDROGEN RECEPTOR BRITISH COLUMBIA CANCER AGENCY (CA) 2016-07-20 EP disclosed
US-20110230539-A1 Small Molecule Inhibitors of N-Terminus Activation of the Androgen Receptor THE UNITED STATES GOVERNMENT 2011-09-22 US disclosed
US-20110230539-A1 Small Molecule Inhibitors of N-Terminus Activation of the Androgen Receptor THE UNITED STATES GOVERNMENT 2011-09-22 US disclosed
US-20110230539-A1 Small Molecule Inhibitors of N-Terminus Activation of the Androgen Receptor THE UNITED STATES GOVERNMENT 2011-09-22 US disclosed
WO-2010020055-A1 SMALL MOLECULE INHIBITORS OF N-TERMINUS ACTIVATION OF THE ANDROGEN RECEPTOR BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2010-02-25 WO 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-20170239216-A1 SMALL MOLECULE INHIBITORS OF N-TERMINUS ACTIVATION OF THE ANDROGEN RECEPTOR AR, KLK3, NR5A1 ALDH1A1 2692/4885GAA 3268/4885HTT 4834/4885
US-20110230539-A1 Small Molecule Inhibitors of N-Terminus Activation of the Androgen Receptor AR, KLK3, NR5A1 ALDH1A1 2692/4885GAA 3268/4885HTT 4834/4885

“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.