SCHEMBL6202411

SCHEMBL6202411

O=c1cc(C(F)(F)F)c2c3c(ccc2[nH]1)OCCN3

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 20/20 0.66
NR3C1 P04150 2/20 0.43
PGR P06401 1/20 0.42

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
SCHEMBL6481740 0.83 AR (0.48) ARNR3C1PGR
SCHEMBL5122217 0.80 AR (1.00) ARNR3C1PGR
SCHEMBL6306983 0.74 AR (0.50) ARNR3C1
SCHEMBL6308099 0.73 AR (0.90) ARNR3C1PGR
SCHEMBL3023968 0.73 AR (1.00) ARNR3C1PGR
SCHEMBL4145604 0.68 AR (0.51) ARNR3C1
SCHEMBL1771532 0.65 AR (0.48) AR
SCHEMBL5128073 0.65 AR (1.00) ARNR3C1PGR
SCHEMBL1771743 0.64 AR (0.48) AR
SCHEMBL5122320 0.64 AR (1.00) ARNR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107372-A1 2-(Quinolonyl)-fused heterocycles as androgen receptor modulators LANTER JAMES C (US) 2005-05-19 US disclosed
US-6858621-B2 2-(quinolonyl)-fused heterocycles as androgen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-02-22 US disclosed
EP-1501835-A2 2-(QUINOLONYL)-FUSED HETEROCYCLES AS ANDROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2005-02-02 EP disclosed
US-20040014743-A1 2-(Quinolonyl)-fused heterocycles as androgen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-01-22 US disclosed
WO-2003090672-A2 2-(QUINOLONYL)-FUSED HETEROCYCLES AS ANDROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-11-06 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-20040014743-A1 2-(Quinolonyl)-fused heterocycles as androgen receptor modulators AR, NR5A1, ESRRA AR 1/4885NR3C1 18/4885PGR 64/4885
US-20050107372-A1 2-(Quinolonyl)-fused heterocycles as androgen receptor modulators AR, NR5A1, CYP19A1 AR 1/4885NR3C1 29/4885PGR 50/4885

“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.