SCHEMBL5079244

SCHEMBL5079244

O=C(O)C(=O)CC1(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.52
CCR2 P41597 2/20 0.50
SLC6A3 Q01959 2/20 0.49
SLC6A2 P23975 1/20 0.49
OPRM1 P35372 6/20 0.46
OPRL1 P41146 5/20 0.43
KDM1A O60341 2/20 0.43
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
EPHX2 P34913 1/20 0.42
OPRD1 P41143 1/20 0.42

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
SCHEMBL17761230 0.84 SLC6A4 (0.57) SLC6A4CCR2SLC6A3SLC6A2OPRM1
SCHEMBL625406 0.83 SLC6A4 (0.59) SLC6A4CCR2SLC6A3SLC6A2OPRM1
SCHEMBL17761304 0.79 SLC6A4 (0.62) SLC6A4CCR2SLC6A3SLC6A2OPRM1
SCHEMBL6583082 0.78 MAOA (0.50) OPRM1OPRL1
SCHEMBL3924833 0.76 HDAC3 (0.42)
SCHEMBL16568990 0.75 SLC6A4 (0.60) SLC6A4CCR2SLC6A3SLC6A2OPRM1
SCHEMBL16629553 0.75 SLC6A4 (0.60) SLC6A4CCR2SLC6A3SLC6A2OPRM1
SCHEMBL7781709 0.75 KMT2A (0.37)
SCHEMBL696251 0.74 AKR1C3 (0.67) SLC6A4CCR2OPRM1OPRL1KDM1A
SCHEMBL7172054 0.74 SLC6A4 (0.49) SLC6A4CCR2SLC6A3SLC6A2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7388006-B2 Non-steroidal progesting BAYER SCHERING PHARMA AG (DE) 2008-06-17 US disclosed
EP-1482925-B1 5-(2-HYDROXY-3-'1-(3-TRIFLUOROMETHYLPHENYL)-CYCLOPROPL]-PROPIONYLAMINO)-PHTALIDE AND RELATED COMPOUNDS WITH PROGESTERONE RECEPTOR MODULATING ACTIVITY FOR USE IN FERTILITY CONTROL AND HORMONE REPLACEMENT THERAPY SCHERING AG (DE) 2007-01-17 EP disclosed
EP-1482925-A1 5-(2-HYDROXY-3-'1-(3-TRIFLUOROMETHYLPHENYL)-CYCLOPROPL!-PROPIONYLAMINO)-PHTALIDE AND RELATED COMPOUNDS WITH PROGESTERONE RECEPTOR MODULATING ACTIVITY FOR USE IN FERTILITY CONTROL AND HORMONE REPLACEMENT THERAPY Schering AG (DE) 2004-12-08 EP disclosed
US-20030232824-A1 Non-steroidal progesting SCHERING AG (DE) 2003-12-18 US disclosed
WO-2003075915-A1 5-}2-HYDROXY-3-`1-(3-TRIFLUOROMETHYLPHENYL)-CYCLOPROPYL!-PROPIONYLAMINO}- PHTALIDE AND RELATED COMPOUNDS WITH PROGESTERONE RECEPTOR MODULATING ACTIVITY FOR USE IN FERTILITY CONTROL AND HORMONE REPLACEMENT THERAPY SCHERING AG (DE) 2003-09-18 WO disclosed
EP-1344776-A1 5- 2-hydroxy-3-[1-(3-trifluoromethylphenyl)-cyclopropyl]-propionylamino -phtalide and 6- 2-hydroxy-3-[1-(3-trifluoromethylphenyl)-cyclopropyl]-propionylamino -4-methyl-2,3-benzoxazin-1-one derivatives with progesterone receptor modulating activity for use in fertility control, hormone replacement therapy and the treatment of gynecological disorders Schering Aktiengesellschaft (DE) 2003-09-17 EP 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-20030232824-A1 Non-steroidal progesting PGR, NR5A1, GPER1 SLC6A4 4357/4885CCR2 831/4885SLC6A3 2935/4885

“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.