SCHEMBL4098757

SCHEMBL4098757

CCc1nn(CC#N)c(CC)c1Oc1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.47
KCNH2 Q12809 3/20 0.38
CYP11B2 P19099 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2A6 P11509 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1B Q00975 1/20 0.36
CYP19A1 P11511 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SLC6A4 P31645 1/20 0.34
CYP11B1 P15538 1/20 0.34

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
SCHEMBL4115324 0.92 PGR (0.49) PGRKCNH2CYP11B2KDM4ECYP2A6
SCHEMBL4106530 0.88 PGR (0.49) PGRKCNH2CYP11B2KDM4ECYP2A6
SCHEMBL4103498 0.86 PGR (0.46) PGRKCNH2CYP11B2KDM4ECYP2A6
SCHEMBL4097849 0.86 PGR (0.59) PGRKCNH2CYP11B2KDM4ECYP2A6
SCHEMBL13889241 0.85 PGR (0.60) PGRKCNH2CYP11B2KDM4ECACNA1G
SCHEMBL4609839 0.84 PGR (0.61) PGRKCNH2CYP11B2KDM4ECACNA1G
SCHEMBL4118214 0.84 PGR (0.52) PGRKDM4E
SCHEMBL4105490 0.84 PGR (0.52) PGRKCNH2CYP11B2KDM4ECYP2A6
SCHEMBL4110446 0.83 PGR (0.42) PGRKCNH2CYP11B2CYP19A1CYP11B1
SCHEMBL4114826 0.83 PGR (0.62) PGRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482375-B2 Compounds useful in therapy PFIZER INC. (US) 2009-01-27 US claimed
EP-1874732-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS Pfizer Limited (GB) 2008-01-09 EP claimed
WO-2006111856-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 2006-10-26 WO claimed
US-20060241125-A1 Compounds useful in therapy BRADLEY PAUL A 2006-10-26 US claimed
US-20090099209-A1 Compounds Useful in Therapy PFIZER INC 2009-04-16 US disclosed
US-20090099209-A1 Compounds Useful in Therapy PFIZER INC 2009-04-16 US disclosed
US-7482375-B2 Compounds useful in therapy PFIZER INC. (US) 2009-01-27 US disclosed
US-7482375-B2 Compounds useful in therapy PFIZER INC. (US) 2009-01-27 US disclosed
EP-1874732-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS Pfizer Limited (GB) 2008-01-09 EP disclosed
WO-2006111856-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 2006-10-26 WO disclosed
US-20060241125-A1 Compounds useful in therapy BRADLEY PAUL A 2006-10-26 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 (2 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-20060241125-A1 Compounds useful in therapy CBR3, GPER1, CBR1 PGR 57/4885KCNH2 984/4885CYP11B2 370/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 PGR 87/4885KCNH2 1091/4885CYP11B2 407/4885

“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.