SCHEMBL2889235

SCHEMBL2889235

CC1(C)OC(=O)Nc2ccc(-n3cc(Br)cc3C#N)cc21

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PGR P06401 20/20 0.56
AR P10275 4/20 0.47
NR3C1 P04150 3/20 0.47
NR3C2 P08235 3/20 0.47

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
SCHEMBL79517 0.81 PGR (0.61) PGRARNR3C1NR3C2
SCHEMBL1222341 0.76 PGR (0.67) PGRARNR3C1NR3C2
Brofoxine SCHEMBL61925 0.73 PGR (0.59) PGRARNR3C1NR3C2
Brofoxine SCHEMBL29710912 0.73 PGR (0.59) PGRARNR3C1NR3C2
SCHEMBL1223633 0.73 PGR (0.69) PGRARNR3C1NR3C2
SCHEMBL61743 0.72 PGR (1.00) PGRARNR3C1NR3C2
SCHEMBL4185522 0.71 PGR (0.98) PGRARNR3C1NR3C2
SCHEMBL1222818 0.68 PGR (0.59) PGRARNR3C1NR3C2
SCHEMBL78394 0.68 PGR (0.61) PGRNR3C1
SCHEMBL7686696 0.67 PGR (0.74) PGRARNR3C1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173433-B1 CYANOPYRROLES AS PROGESTERONE RECEPTOR AGONISTS WYETH CORP (US) 2005-12-28 EP claimed
US-20050256110-A1 Cyanopyrroles WYETH (US) 2005-11-17 US 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
US-7846924-B2 Cyanopyrroles WYETH LLC (US) 2010-12-07 US disclosed
US-6982261-B2 Cyanopyrroles WYETH (US) 2006-01-03 US disclosed
US-20050256110-A1 Cyanopyrroles WYETH (US) 2005-11-17 US disclosed
US-20030158182-A1 A progesterone receptor antagonist for providing progestational therapy, treating cancer of breast, uterine, ovarian, endometrial, or prostate, providing contraceptives, hormone replacement therapy WYETH 2003-08-21 US disclosed
US-6562857-B2 Progesterone receptor antagonist; inhibiting breast, uterine, ovarian, endometrial, or prostate cancer WYETH 2003-05-13 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

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-20050256110-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-20030158182-A1 A progesterone receptor antagonist for providing progestational therapy, treating cancer of breast, uterine, ovarian, endometrial, or prostate, providing contraceptives, hormone replacement therapy PGR, GNRHR, AR PGR 1/4885AR 3/4885NR3C1 27/4885

“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.