SCHEMBL5121964

SCHEMBL5121964

CC(C)Oc1cc(C(F)(F)F)c2c3c(ccc2n1)N[C@H](Cc1ccccc1)CO3

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.42
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPA1 O75762 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CDK1 P06493 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
SCHEMBL5123257 1.00 AR (0.42) ARMEN1CYP1A2POLBCYP2D6
SCHEMBL5122002 0.88 AR (0.55) ARCDK1
SCHEMBL5124748 0.88 AR (0.55) ARCDK1
SCHEMBL5116557 0.87 AR (0.45) AR
SCHEMBL5123270 0.86 AR (0.56) AR
SCHEMBL5115984 0.84 AR (0.55) ARTRPA1HCRTR1HCRTR2CDK1
SCHEMBL5486825 0.84 AR (0.55) ARTRPA1HCRTR1HCRTR2CDK1
SCHEMBL5114835 0.83 AR (0.53) ARTRPA1CDK1
SCHEMBL5114827 0.83 AR (0.53) ARTRPA1CDK1
SCHEMBL5118678 0.82 AR (0.40) ARTRPA1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300241-A9 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods HIGUCHI ROBERT I 2008-12-04 US disclosed
US-7214690-B2 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-05-08 US disclosed
US-20070072849-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2007-03-29 US disclosed
US-20020183314-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2002-12-05 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 (3 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-20020183314-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods AR, NR5A1, FSHR AR 1/4885MEN1 2192/4885CYP1A2 181/4885
US-20080300241-A9 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods AR, NR5A1, FSHR AR 1/4885MEN1 2402/4885CYP1A2 163/4885
US-20070072849-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods AR, NR5A1, FSHR AR 1/4885MEN1 2402/4885CYP1A2 163/4885

“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.