SCHEMBL3876452

SCHEMBL3876452

CC(=O)c1cc(-c2cccc(F)c2)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.51
IKBKB O14920 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GFER P55789 1/20 0.49
KMT2A Q03164 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ESR2 Q92731 1/20 0.47
MAP4K4 O95819 3/20 0.47
KEAP1 Q14145 1/20 0.46
DCLRE1B Q9H816 1/20 0.46
CHEK2 O96017 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
ICMT O60725 1/20 0.43
NQO2 P16083 1/20 0.43
FADS1 O60427 1/20 0.43
HDAC2 Q92769 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
SLC9A1 P19634 1/20 0.42
PTPN1 P18031 1/20 0.41

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
SCHEMBL18070541 0.85 KDM4E (0.53) IKBKBKDM4EGFERKMT2ARXFP1
SCHEMBL3618305 0.84 KMT2A (0.65) IKBKBKDM4EGFERKMT2ARXFP1
SCHEMBL14783967 0.83 ESR2 (0.50) TAAR1ESR2MAP4K4DCLRE1BTRPM8
SCHEMBL3781881 0.83 MCL1 (0.57) IKBKBKDM4EGFERKMT2ARXFP1
SCHEMBL21798946 0.83 ALDH1A1 (0.51) TAAR1IKBKBKDM4EGFERKMT2A
SCHEMBL3792022 0.83 IKBKB (0.71) IKBKBKDM4EGFERKMT2ARXFP1
SCHEMBL31570070 0.83 IKBKB (0.71) IKBKBKDM4EGFERKMT2ARXFP1
SCHEMBL29467969 0.81 KEAP1 (0.68) KDM4EGFERKMT2ARXFP1KEAP1
SCHEMBL9665493 0.81 KEAP1 (0.68) KDM4EGFERKMT2ARXFP1KEAP1
SCHEMBL4741063 0.81 ESR2 (0.47) TAAR1KMT2AESR2MAP4K4DCLRE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796266-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators WYETH LLC (US) 2014-08-05 US disclosed
US-20130261112-A1 Cyclothiocarbamate Derivatives as Progesterone Receptor Modulators WYETH LLC 2013-10-03 US disclosed
US-8466146-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators WYETH LLC (US) 2013-06-18 US disclosed
US-20130072480-A1 Cyclothiocarbamate Derivatives as Progesterone Receptor Modulators WYETH LLC (US) 2013-03-21 US disclosed
US-8329690-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators WYETH LLC (US) 2012-12-11 US disclosed
US-20090281096-A1 CYCLOTHIOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2009-11-12 US disclosed
US-7569564-B2 Cyclothiocarbamate derivatives as progesterone receptor modulators WYETH (US) 2009-08-04 US disclosed
US-20090111802-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2009-04-30 US disclosed
US-7488822-B2 Cyclocarbamate derivatives as progesterone receptor modulators WYETH (US) 2009-02-10 US disclosed
EP-1175411-B1 CYCLOTHIOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH CORP (US) 2008-02-20 EP disclosed
US-20030092711-A1 Contraceptives; hormone replacement therapy WYETH LLC 2003-05-15 US disclosed
US-20030045511-A1 Combination regimens using progesterone receptor modulators WYETH 2003-03-06 US disclosed
US-6509334-B1 This invention relates to compounds that antagonists of the progesterone receptor, their preparation and utility. Intracellular receptors (IR) form a class of structurally related gene regulators known as \"ligand dependent AMERICAN HOME PRODUCTS CORPORATION 2003-01-21 US disclosed
US-6444668-B1 IN COMBINATION WITH A PROGESTIN, AN ESTROGEN, OR BOTH; ANTIPROGESTIN IS A 1,4-DIHYDRO-BENZO(D)(1.3)OXAZIN-2-ONE WYETH 2002-09-03 US disclosed
US-6436929-B1 3,1-BENZOXAZINE-2-THIONES; CONTRACEPTION AND THE TREATMENT OF PROGESTERONE-RELATED MALADIES WYETH 2002-08-20 US disclosed
US-20020049204-A1 Cyclocarbamate derivatives as progesterone receptor modulators WYETH 2002-04-25 US disclosed
EP-1173426-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS American Home Products Corporation (US) 2002-01-23 EP disclosed
EP-1173210-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC American Home Products Corporation (US) 2002-01-23 EP disclosed
WO-2000066164-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed
WO-2000066571-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS 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 (7 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-20030045511-A1 Combination regimens using progesterone receptor modulators GNRHR, PGR, PRLHR TAAR1 114/4885IKBKB 553/4885KDM4E 2212/4885
US-20090281096-A1 CYCLOTHIOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 TAAR1 287/4885IKBKB 2817/4885KDM4E 2121/4885
US-20030092711-A1 Contraceptives; hormone replacement therapy PGR, GNRHR, GHRHR TAAR1 379/4885IKBKB 2428/4885KDM4E 1521/4885
US-20130072480-A1 Cyclothiocarbamate Derivatives as Progesterone Receptor Modulators PGR, PGRMC2, PGRMC1 TAAR1 287/4885IKBKB 2817/4885KDM4E 2121/4885
US-20130261112-A1 Cyclothiocarbamate Derivatives as Progesterone Receptor Modulators PGR, PGRMC2, PGRMC1 TAAR1 287/4885IKBKB 2817/4885KDM4E 2121/4885
US-20020049204-A1 Cyclocarbamate derivatives as progesterone receptor modulators NR3C1, NR5A1, CNR1 TAAR1 260/4885IKBKB 1022/4885KDM4E 2390/4885
US-20090111802-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS PGR, NR5A1, NR3C1 TAAR1 702/4885IKBKB 610/4885KDM4E 3260/4885

“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.