SCHEMBL62719

SCHEMBL62719

CC1(C)OC(=O)Nc2ccc(-c3ccc(C#N)[nH]3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PGR P06401 20/20 1.00
AR P10275 3/20 0.60
NR3C1 P04150 2/20 0.59
NR3C2 P08235 2/20 0.59

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
SCHEMBL64275 0.85 PGR (0.74) PGRNR3C1
SCHEMBL3985849 0.82 PGR (1.00) PGR
SCHEMBL4911165 0.81 PGR (0.68) PGRARNR3C1NR3C2
SCHEMBL1223269 0.81 PGR (0.67) PGR
SCHEMBL1223201 0.80 PGR (0.66) PGRARNR3C1NR3C2
SCHEMBL1223217 0.80 PGR (0.66) PGRARNR3C1NR3C2
SCHEMBL1223876 0.80 PGR (0.66) PGRARNR3C1NR3C2
SCHEMBL3872645 0.79 PGR (1.00) PGRARNR3C1NR3C2
SCHEMBL3883683 0.78 PGR (0.86) PGRARNR3C1NR3C2
SCHEMBL4009026 0.78 PGR (0.69) PGR

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476262-B2 Cyanopyrroles WYETH LLC (US) 2013-07-02 US claimed
US-20110039839-A1 Cyanopyrroles WYETH LLC (US) 2011-02-17 US claimed
US-20090054663-A1 COUPLING PROCESS FOR GENERATING REACTIVE BORON-CONTAINING DERIVATIVES OF N-SUBSTITUTED PYRROLE-2-CARBONITRILES TO PRODUCE BIARYLS WYETH (US) 2009-02-26 US claimed
EP-1173433-B1 CYANOPYRROLES AS PROGESTERONE RECEPTOR AGONISTS WYETH CORP (US) 2005-12-28 EP claimed
US-20050272702-A1 Coupling process for generating reactive boron-containing derivatives of N-substituted pyrrole-2-carbonitriles to produce biaryls WYETH (US) 2005-12-08 US claimed
US-20050256110-A1 Cyanopyrroles WYETH (US) 2005-11-17 US claimed
CN-1133635-C Cyanopyrroles for binding progesterone receptors �Ʒ� 2004-01-07 CN claimed
US-6407101-B1 PROGESTERONE RECEPTOR ANTAGONISTS; CONTRACEPTIVES, HORMONE REPLACEMENT THERAPY; BREAST AND PROSTATE CANCER TREATMENT; MENOPAUSE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US claimed
CN-1349531-A Cyanopyrroles as progesterone receptor agonists AMERICAN HOME PROD (US) 2002-05-15 CN claimed
WO-2014159377-A1 COMPOSITIONS CONTAINING TANAPROGET AND NATURAL ESTROGENS TEVA WOMEN'S HEALTH, INC. (US) 2014-10-02 WO disclosed
US-8796266-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators WYETH LLC (US) 2014-08-05 US disclosed
US-20130261112-A1 Cyclothiocarbamate Derivatives as Progesterone Receptor Modulators WYETH LLC 2013-10-03 US disclosed
EP-1874743-B1 PURIFIED FORM OF TANAPROGET WYETH LLC (US) 2013-07-17 EP disclosed
US-8476262-B2 Cyanopyrroles WYETH LLC (US) 2013-07-02 US disclosed
US-6562857-B2 Progesterone receptor antagonist; inhibiting breast, uterine, ovarian, endometrial, or prostate cancer WYETH 2003-05-13 US disclosed
US-6436929-B1 3,1-BENZOXAZINE-2-THIONES; CONTRACEPTION AND THE TREATMENT OF PROGESTERONE-RELATED MALADIES WYETH 2002-08-20 US disclosed
US-6407101-B1 PROGESTERONE RECEPTOR ANTAGONISTS; CONTRACEPTIVES, HORMONE REPLACEMENT THERAPY; BREAST AND PROSTATE CANCER TREATMENT; MENOPAUSE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed
US-20020068735-A1 Cyanopyrroles AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US disclosed
CN-1349531-A Cyanopyrroles as progesterone receptor agonists AMERICAN HOME PROD (US) 2002-05-15 CN disclosed
CN-1349516-A Cyclothiocarbamate derivatives as progesterone receptor modulators AMERICAN HOME PROD (US) 2002-05-15 CN 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 (6 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-20050256110-A1 Cyanopyrroles PGR, MC2R, THRB PGR 1/4885AR 28/4885NR3C1 22/4885
US-20090054663-A1 COUPLING PROCESS FOR GENERATING REACTIVE BORON-CONTAINING DERIVATIVES OF N-SUBSTITUTED PYRROLE-2-CARBONITRILES TO PRODUCE BIARYLS BOLA2; BOLA2B, BRI3BP, BROX PGR 1401/4885AR 3276/4885NR3C1 2069/4885
US-20110039839-A1 Cyanopyrroles PGR, MC2R, THRB PGR 1/4885AR 28/4885NR3C1 22/4885
US-20020068735-A1 Cyanopyrroles PGR, NR3C2, GNRHR PGR 1/4885AR 28/4885NR3C1 19/4885
US-20130261112-A1 Cyclothiocarbamate Derivatives as Progesterone Receptor Modulators PGR, PGRMC2, PGRMC1 PGR 1/4885AR 97/4885NR3C1 17/4885
US-20050272702-A1 Coupling process for generating reactive boron-containing derivatives of N-substituted pyrrole-2-carbonitriles to produce biaryls BOLA2; BOLA2B, BRI3BP, BROX PGR 1401/4885AR 3276/4885NR3C1 2069/4885

“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.