SCHEMBL4110668

SCHEMBL4110668

Cc1nn(CCO)c(C)c1Oc1ccc(C#N)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.46
BRD4 O60885 1/20 0.35
P2RX7 Q99572 1/20 0.35
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP11B1 P15538 5/20 0.34
CYP11B2 P19099 5/20 0.34
SLC22A12 Q96S37 2/20 0.34
SCN9A Q15858 1/20 0.34
EED O75530 1/20 0.34
SUZ12 Q15022 1/20 0.34
EZH2 Q15910 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
SCHEMBL4104698 0.90 AR (0.43) ARBRD4LMNAALOX15SCN9A
SCHEMBL4110656 0.86 AR (0.53) ARBRD4P2RX7SLC22A12
SCHEMBL4114683 0.81 PGR (0.40) ARCYP11B1CYP11B2SLC22A12SCN9A
SCHEMBL4114649 0.81 PGR (0.50) ARBRD4LMNAALOX15CYP11B2
SCHEMBL10251005 0.78 EPAS1 (0.40) ARP2RX7
SCHEMBL508669 0.74 KCNH2 (0.46) ARBRD4P2RX7LMNAALOX15
SCHEMBL5230404 0.73 PGR (0.40) ARSLC22A12SCN9A
SCHEMBL6626980 0.72 PGR (0.33) ARSCN9A
SCHEMBL508698 0.71 MAPT (0.41) ARBRD4P2RX7LMNAALOX15
SCHEMBL4109666 0.71 PGR (0.41) ARSLC22A12SCN9A

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 AR 387/4885BRD4 1735/4885P2RX7 244/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 AR 400/4885BRD4 1764/4885P2RX7 257/4885

“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.