SCHEMBL6408891

SCHEMBL6408891

N#Cc1ccc(-c2ccc3c(c2)C2(CCCCC2)C(=O)N3)n1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGR P06401 19/20 0.73
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44

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
SCHEMBL6433927 0.99 PGR (0.72) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL91102 0.84 PGR (1.00) PGR
SCHEMBL5508205 0.83 PGR (1.00) PGR
SCHEMBL5499653 0.81 PGR (0.95) PGR
SCHEMBL3521215 0.81 PGR (0.56) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL5505137 0.78 PGR (0.91) PGR
SCHEMBL7686696 0.77 PGR (0.74) PGR
SCHEMBL1223262 0.76 PGR (0.55) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL1222740 0.75 PGR (0.55) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL3523720 0.75 PGR (1.00) 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 2 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 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

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-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 1/4885PDE4A 4019/4885PDE4B 4466/4885

“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.