SCHEMBL5075856

SCHEMBL5075856

N#CC1(c2cccc(C(F)(F)F)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
MPL P40238 3/20 0.35
HDAC4 P56524 1/20 0.35
BDKRB1 P46663 3/20 0.34
PDK2 Q15119 1/20 0.34
CYP1A2 P05177 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
TEAD1 P28347 1/20 0.31
TEAD4 Q15561 1/20 0.31
TEAD2 Q15562 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
NOTUM Q6P988 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL4445323 0.84 ADRA1D (0.44) PDE7AADRA1DADRA1AADRA1BHDAC4
SCHEMBL16729399 0.82 HDAC6 (0.38) PDE7AADRA1DADRA1AADRA1BHDAC4
SCHEMBL3868254 0.79 HDAC4 (0.42) PDE7AHDAC4BDKRB1
SCHEMBL625570 0.78 HDAC4 (0.45) PDE7AADRA1DADRA1AADRA1BHDAC4
SCHEMBL9818617 0.78 HDAC4 (0.49) PDE7AADRA1DADRA1AADRA1BHDAC4
SCHEMBL30183839 0.76 PDE7A (0.31) PDE7AHDAC4BDKRB1
SCHEMBL21805029 0.76 PDE7A (0.31) PDE7AHDAC4BDKRB1
SCHEMBL30251132 0.76 BDKRB1 (0.33) HDAC4BDKRB1PDK2
SCHEMBL5726943 0.74 ADRA1D (0.41) PDE7AADRA1DADRA1AADRA1BHDAC4
SCHEMBL23778356 0.73 ADRA1D (0.42) PDE7AADRA1DADRA1AADRA1BHDAC4

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 PDE7A 3021/4885ADRA1D 166/4885ADRA1A 165/4885

“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.