SCHEMBL4609487

SCHEMBL4609487

CSCn1nc(C2CC2)c(Oc2ccc(C#N)cc2)c1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.46
HRH3 Q9Y5N1 6/20 0.36
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ICMT O60725 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL4709063 0.88 PGR (0.47) PGRHRH3CYP11B1CYP11B2ICMT
SCHEMBL4609093 0.85 PGR (0.46) PGRHRH3ICMTHRH2HRH1
SCHEMBL4959617 0.83 PGR (0.50) PGRCYP11B1CYP11B2
SCHEMBL4608270 0.82 PGR (0.62) PGRHRH3CYP11B1CYP11B2ALOX5AP
SCHEMBL4103189 0.82 PGR (0.49) PGRCYP11B1CYP11B2ALOX5APFEN1
SCHEMBL4102713 0.82 PGR (0.64) PGRHRH3CYP11B1CYP11B2
SCHEMBL4608005 0.81 PGR (0.53) PGRHRH3CYP11B1CYP11B2
SCHEMBL13889242 0.81 PGR (0.48) PGRHRH3CYP11B1CYP11B2HRH2
SCHEMBL4609190 0.81 PGR (0.53) PGRHRH3CYP11B1CYP11B2
SCHEMBL4624084 0.80 PGR (0.52) PGRHRH3ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948615-B1 Pyrazole derivatives useful for the treatment of gynaecological diseases PFIZER LTD (GB) 2011-12-14 EP disclosed
US-7425569-B2 1H-pyrazoles useful in therapy PFIZER INC (US) 2008-09-16 US disclosed
EP-1948615-A2 COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2008-07-30 EP disclosed
US-20080085919-A1 1H-Pyrazoles Useful In Therapy BRADLEY PAUL A 2008-04-10 US disclosed
US-7309712-B2 1H-pyrazoles useful in therapy PFIZER LIMITED (GB) 2007-12-18 US disclosed
WO-2007054770-A2 PYRAZOLE DERIVATIVES AND THEIR MEDICAL USE PFIZER LIMITED (GB) 2007-05-18 WO disclosed
US-20070105909-A1 Compounds useful in therapy PFIZER INC. 2007-05-10 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-20070105909-A1 Compounds useful in therapy GNRHR, OPRK1, CBR3 PGR 155/4885HRH3 116/4885CYP11B1 738/4885
US-20080085919-A1 1H-Pyrazoles Useful In Therapy CBR3, GNRHR, RXFP3 PGR 87/4885HRH3 99/4885CYP11B1 557/4885

“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.