SCHEMBL3521176

SCHEMBL3521176

O=C1Nc2ccc(-c3ccc(F)c(Cl)c3)cc2C12CCCCC2

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 19/20 0.73
NR3C1 P04150 1/20 0.53
NR3C2 P08235 1/20 0.53
AR P10275 1/20 0.53
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51

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
SCHEMBL3521615 0.99 PGR (0.70) PGRNR3C1NR3C2ARPDE4A
SCHEMBL6426704 0.88 PGR (0.71) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL3519246 0.85 PGR (0.74) PGR
SCHEMBL6424665 0.83 PGR (0.67) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL6013866 0.83 PGR (1.00) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL3523715 0.82 PGR (0.77) PGRNR3C1PDE4APDE4BPDE4C
SCHEMBL3520506 0.80 PGR (0.72) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL5482190 0.80 PGR (0.72) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL3520044 0.80 PGR (0.72) PGRNR3C1PDE4APDE4BPDE4C
SCHEMBL5338332 0.79 PGR (0.59) PGRNR3C1NR3C2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175398-B1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS WYETH CORP (US) 2007-07-11 EP claimed
US-6544970-B2 Administering in a first phase of a progestational agent (levonorgestrel or ethinylestradiol) and in a second phase an antiprogestin that is an indolinone derivative, especially a 3-spiroalkylene derivative WYETH 2003-04-08 US claimed
US-20030050288-A1 Cyclic regimens utilizing indoline derivatives WYETH 2003-03-13 US claimed
US-6462032-B1 Cyclic regimens utilizing indoline derivatives WYETH 2002-10-08 US claimed
US-6391907-B1 ANTICANCER AGENTS; CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-05-21 US claimed
US-7645761-B2 Indoline derivatives WYETH (US) 2010-01-12 US disclosed
US-20070259944-A1 Indoline derivatives WYETH (US) 2007-11-08 US disclosed
EP-1175398-B1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS WYETH CORP (US) 2007-07-11 EP disclosed
US-7091234-B2 Thio-oxindole derivatives WYETH (US) 2006-08-15 US disclosed
US-7084168-B2 Indoline derivatives WYETH (US) 2006-08-01 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-20030050288-A1 Cyclic regimens utilizing indoline derivatives WYETH 2003-03-13 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-6462032-B1 Cyclic regimens utilizing indoline derivatives WYETH 2002-10-08 US disclosed
US-20020103248-A1 Thio-oxindole derivatives WYETH LLC 2002-08-01 US disclosed
US-20020086874-A1 Indoline derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2002-07-04 US disclosed
US-6391907-B1 ANTICANCER AGENTS; CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-05-21 US disclosed
US-6355648-B1 COMPOUNDS AS CONTRACEPTIVES AND PROGESTERONE ANTAGONIST AMERICAN HOME PRODUCTS CORPORATION 2002-03-12 US 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-20070259944-A1 Indoline derivatives PGR, GNRHR, PRLHR PGR 1/4885NR3C1 45/4885NR3C2 31/4885
US-20020103248-A1 Thio-oxindole derivatives PGR, OXTR, PGRMC1 PGR 1/4885NR3C1 9/4885NR3C2 7/4885
US-20020086874-A1 Indoline derivatives PGR, GNRHR, PRLHR PGR 1/4885NR3C1 39/4885NR3C2 23/4885
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 1/4885NR3C1 20/4885NR3C2 11/4885
US-20020169198-A1 Thio-oxindole derivatives GPER1, PGR, ESR1 PGR 2/4885NR3C1 14/4885NR3C2 8/4885
US-20030050288-A1 Cyclic regimens utilizing indoline derivatives PRLHR, GNRHR, BRCA1 PGR 5/4885NR3C1 178/4885NR3C2 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.