SCHEMBL4097849

SCHEMBL4097849

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.59
CYP11B2 P19099 2/20 0.40
KCNH2 Q12809 2/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP11B1 P15538 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1B Q00975 1/20 0.34
P2RX3 P56373 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CYP2A6 P11509 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP2 Q9UGN5 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
SCHEMBL4106530 0.90 PGR (0.49) PGRCYP11B2KCNH2KDM4ECYP11B1
SCHEMBL4115324 0.89 PGR (0.49) PGRCYP11B2KCNH2KDM4ECACNA1G
Lersivirine SCHEMBL508446 0.88 KCNH2 (0.49) PGRCYP11B2KCNH2
SCHEMBL13889241 0.87 PGR (0.60) PGRCYP11B2KCNH2KDM4ECYP11B1
SCHEMBL508453 0.86 PGR (0.44) PGRKCNH2HRH3
SCHEMBL4098757 0.86 PGR (0.47) PGRCYP11B2KCNH2KDM4ECYP11B1
SCHEMBL508393 0.85 KCNH2 (0.44) PGRCYP11B2KCNH2
SCHEMBL4112493 0.85 PGR (0.42) PGR
SCHEMBL2717137 0.84 KCNH2 (0.53) PGRCYP11B2KCNH2
SCHEMBL5224650 0.84 PGR (0.39) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 57/4885CYP11B2 370/4885KCNH2 984/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 PGR 87/4885CYP11B2 407/4885KCNH2 1091/4885

“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.