SCHEMBL5227879

SCHEMBL5227879

O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)NCCCC3

nearest known ligand 0.92

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 20/20 0.92
PGR P06401 6/20 0.60

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
SCHEMBL2858835 0.91 AR (0.90) ARPGR
SCHEMBL6308099 0.76 AR (0.90) ARPGR
SCHEMBL5233514 0.75 AR (0.93) ARPGR
SCHEMBL19236106 0.74 AR (1.00) ARPGR
SCHEMBL3023968 0.74 AR (1.00) ARPGR
SCHEMBL3019235 0.72 AR (0.60) ARPGR
SCHEMBL29474210 0.71 AR (1.00) ARPGR
SCHEMBL5228055 0.71 AR (0.49) AR
SCHEMBL2867083 0.70 AR (0.90) ARPGR
SCHEMBL12158649 0.69 AR (1.00) ARPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439841-B1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2007-09-19 EP claimed
US-7196076-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2007-03-27 US claimed
US-20040198717-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME CORP. 2004-10-07 US claimed
EP-1439841-B1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2007-09-19 EP disclosed
EP-1439841-B1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2007-09-19 EP disclosed
US-7196076-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2007-03-27 US disclosed
US-7196076-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2007-03-27 US disclosed
US-7196076-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2007-03-27 US disclosed
EP-1439841-A4 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2005-11-09 EP disclosed
US-20040198717-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME CORP. 2004-10-07 US disclosed
EP-1439841-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2004-07-28 EP disclosed
WO-2003034987-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2003-05-01 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 (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-20040198717-A1 Androgen receptor modulators and methods of use thereof AR, SHBG, FSHR AR 1/4885PGR 59/4885

“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.