SCHEMBL5230979

SCHEMBL5230979

CCc1nn(CCO)c(CC)c1Oc1ccc(F)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
PGR P06401 2/20 0.34
PPARG P37231 3/20 0.33
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
CREBBP Q92793 1/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.31
TGFBR1 P36897 1/20 0.31
CHEK2 O96017 1/20 0.30

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
SCHEMBL5230404 0.84 PGR (0.40) PGR
SCHEMBL4109666 0.83 PGR (0.41) PGR
SCHEMBL5228213 0.82 KDM4E (0.36) KCNH2SLC6A4PGRPPARGPTGDR2
SCHEMBL4114683 0.82 PGR (0.40) PGR
SCHEMBL5229393 0.82 OPRL1 (0.34) PGR
SCHEMBL5224650 0.82 PGR (0.39) PGRBRD4BRD2BRD3CREBBP
SCHEMBL5227964 0.81 PTGDR2 (0.42) PGRPTGDR2
SCHEMBL5228272 0.81 PTGDR2 (0.36) KCNH2HTR2ASLC6A4PGRPTGDR2
SCHEMBL5229047 0.80 KCNH2 (0.36) KCNH2PGRPTGDR2
SCHEMBL5224661 0.80 P2RX7 (0.34) HTR2APPARGPTGDR2

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
CN-100408564-C Pyrazole derivatives for treating HIV PFIZER LTD (US) 2008-08-06 CN claimed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP claimed
CN-1514828-A Pyrazole derivatives for treating HIV 2004-07-21 CN claimed
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 WO claimed

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-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KCNH2 3503/4885HTR2A 4856/4885SLC6A4 4310/4885

“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.