SCHEMBL6497641

SCHEMBL6497641

COc1cc(COC23CC4CC(CC(C4)C2)C3)nn1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
SIGMAR1 Q99720 1/20 0.35
KCNH2 Q12809 2/20 0.32
SCN9A Q15858 2/20 0.32
CNR2 P34972 2/20 0.31
FLT3 P36888 1/20 0.31
CCKBR P32239 1/20 0.31
BRD4 O60885 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30
HSD11B1 P28845 1/20 0.30
CNR1 P21554 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
SCHEMBL7984023 0.94 PTGS2 (0.36) PTGS2SIGMAR1SCN9ACNR2CCKBR
SCHEMBL6500868 0.88 PTGS2 (0.33) PTGS2SCN9A
SCHEMBL6490137 0.83 PTGS2 (0.38) PTGS2SIGMAR1KCNH2SCN9ACNR2
SCHEMBL6489101 0.73 CNR2 (0.31) CNR2
SCHEMBL6064596 0.67 ALDH1A1 (0.37) SCN9ACNR2CCKBRHSD11B1
SCHEMBL6065524 0.66 CNR2 (0.37) SCN9ACNR2CCKBR
SCHEMBL6487195 0.60 SLC16A3 (0.38) CNR2
SCHEMBL6500948 0.59 PARP1 (0.30)
SCHEMBL6330166 0.58 CCKBR (0.41) SCN9ACCKBR
SCHEMBL6489013 0.58 CCKBR (0.33) CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6956053-B2 Pyrazole derivatives and their use as gastrin and cholecystokin receptor ligands THE JAMES BLACK FOUNDATION LIMITED (GB) 2005-10-18 US disclosed
US-20030207874-A1 Pyrazole derivatives and their use as gastrin and cholecystokin receptor ligands JAMES BLACK FOUNDATION LIMITED, THE (GB) 2003-11-06 US disclosed
WO-2001090078-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS GASTRIN AND CHOLECYSTOKIN IN RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-29 WO 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 (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-20030207874-A1 Pyrazole derivatives and their use as gastrin and cholecystokin receptor ligands CCKBR, GRPR, CCKAR PTGS2 1270/4885SIGMAR1 248/4885KCNH2 1333/4885

“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.