SCHEMBL6013864

SCHEMBL6013864

COc1cccc(-c2ccc3c(c2)C2(CCCCC2)C(=NOCc2ccccc2)N3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 14/20 0.46
TMEM97 Q5BJF2 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
HTR1A P08908 2/20 0.41
DRD4 P21917 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR5A P47898 1/20 0.41
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL6013862 1.00 PGR (0.46) PGRTMEM97SIGMAR1HTR1ADRD4
SCHEMBL6013825 0.84 PGR (0.46) PGR
SCHEMBL6013853 0.84 PGR (0.46) PGR
SCHEMBL6013814 0.84 PGR (0.55) PGR
SCHEMBL6013833 0.82 PGR (0.61) PGR
SCHEMBL4100582 0.81 PGR (0.51) PGR
SCHEMBL4100579 0.81 PGR (0.51) PGR
SCHEMBL6013826 0.79 PGR (0.37) PGRSLC6A4MAOB
SCHEMBL6013828 0.79 PGR (0.37) PGRSLC6A4MAOB
SCHEMBL7684040 0.77 PGR (0.59) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20020103248-A1 Thio-oxindole derivatives PGR, OXTR, PGRMC1 PGR 1/4885TMEM97 100/4885SIGMAR1 19/4885
US-20030225109-A1 Thio-oxindole derivatives PGR, OXTR, PGRMC1 PGR 1/4885TMEM97 105/4885SIGMAR1 13/4885
US-20020169198-A1 Thio-oxindole derivatives GPER1, PGR, ESR1 PGR 2/4885TMEM97 193/4885SIGMAR1 18/4885
US-20050054711-A1 Thio-oxindole derivatives PGR, OXTR, PGRMC1 PGR 1/4885TMEM97 162/4885SIGMAR1 19/4885

“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.