SCHEMBL91102

SCHEMBL91102

Cn1c(C#N)ccc1-c1ccc2c(c1)C1(CCCCC1)C(=O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PGR P06401 20/20 1.00
NR3C2 P08235 1/20 0.52
AR P10275 1/20 0.52

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
SCHEMBL5508205 0.99 PGR (1.00) PGRNR3C2AR
SCHEMBL5499653 0.97 PGR (0.95) PGRNR3C2AR
SCHEMBL5505137 0.94 PGR (0.91) PGRNR3C2AR
SCHEMBL5518046 0.86 PGR (0.76) PGR
SCHEMBL91101 0.86 PGR (0.76) PGR
SCHEMBL4025044 0.85 PGR (0.74) PGR
SCHEMBL4016288 0.85 PGR (0.74) PGR
Potassium SCHEMBL4025046 0.85 PGR (0.74) PGR
SCHEMBL4016275 0.85 PGR (0.74) PGR
SCHEMBL4103091 0.84 PGR (0.73) PGRNR3C2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129523-B2 Coupling process for generating reactive boron-containing derivatives of N-substituted pyrrole-2-carbonitriles to produce biaryls WYETH LLC (US) 2012-03-06 US disclosed
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 disclosed
US-7446211-B2 Reacting 1-methylpyrrole-2-carbonitrile with triisopropylborate in presence of lithium diisopropyl amine to produce (5-cyano-1-methyl-1H-pyrrol-2-yl) boronic acid WYETH (US) 2008-11-04 US disclosed
US-7091234-B2 Thio-oxindole derivatives WYETH (US) 2006-08-15 US disclosed
US-6946454-B2 Thio-oxindole derivatives WYETH (US) 2005-09-20 US disclosed
US-20050171186-A1 3-(1',2'-Dihydro-2'-thioxospiro[cyclohexane-1,3'-[3H]indol]-5'-yl)benzonitrile; 5'-(5-Cyano-1-methyl-1H-pyrrol-2-yl)spiro[cyclohexane-1,3'-[3H]indol]-2'-ylidenecyanamide; progesterone receptor agonist; mixture with estrone (estrogen); hormone replacement therapy, contraception; anticarcinogenic WYETH (US) 2005-08-04 US disclosed
US-20050054711-A1 Thio-oxindole derivatives WYETH 2005-03-10 US disclosed
US-6841568-B2 Thio-oxindole derivatives WYETH (US) 2005-01-11 US disclosed
US-20030225109-A1 Thio-oxindole derivatives WYETH (US) 2003-12-04 US disclosed
US-6583145-B1 Thio-oxindole derivatives WYETH 2003-06-24 US disclosed
US-6521657-B2 Indole derivatives which are agonists of the progesterone receptor and useful for treatment of carcinoma and adenocarcinomas of uterine leiomyomata, endometriosis or polycystic ovary syndorme in a mammal WYETH 2003-02-18 US disclosed
US-20020169198-A1 Thio-oxindole derivatives WYETH (US) 2002-11-14 US disclosed
US-20020103248-A1 Thio-oxindole derivatives WYETH LLC 2002-08-01 US disclosed
US-6355648-B1 COMPOUNDS AS CONTRACEPTIVES AND PROGESTERONE ANTAGONIST AMERICAN HOME PRODUCTS CORPORATION 2002-03-12 US disclosed
EP-1181275-A1 THIO-OXINDOLE DERIVATIVES American Home Products Corporation (US) 2002-02-27 EP disclosed
WO-2000066555-A1 THIO-OXINDOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 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 (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-20090054663-A1 COUPLING PROCESS FOR GENERATING REACTIVE BORON-CONTAINING DERIVATIVES OF N-SUBSTITUTED PYRROLE-2-CARBONITRILES TO PRODUCE BIARYLS BOLA2; BOLA2B, BRI3BP, BROX PGR 1401/4885NR3C2 745/4885AR 3276/4885
US-20020103248-A1 Thio-oxindole derivatives PGR, OXTR, PGRMC1 PGR 1/4885NR3C2 7/4885AR 27/4885
US-20030225109-A1 Thio-oxindole derivatives PGR, OXTR, PGRMC1 PGR 1/4885NR3C2 9/4885AR 25/4885
US-20050171186-A1 3-(1',2'-Dihydro-2'-thioxospiro[cyclohexane-1,3'-[3H]indol]-5'-yl)benzonitrile; 5'-(5-Cyano-1-methyl-1H-pyrrol-2-yl)spiro[cyclohexane-1,3'-[3H]indol]-2'-ylidenecyanamide; progesterone receptor agonist; mixture with estrone (estrogen); hormone replacement therapy, contraception; anticarcinogenic PGR, ESR1, PGRMC1 PGR 1/4885NR3C2 11/4885AR 23/4885
US-20020169198-A1 Thio-oxindole derivatives GPER1, PGR, ESR1 PGR 2/4885NR3C2 8/4885AR 35/4885
US-20050054711-A1 Thio-oxindole derivatives PGR, OXTR, PGRMC1 PGR 1/4885NR3C2 8/4885AR 26/4885

“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.