SCHEMBL6492741

SCHEMBL6492741

CCOC(=O)c1cccc(NC(=O)c2c(COC34CC5CC(CC(C5)C3)C4)nn(-c3ccccc3C)c2O)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
POLB P06746 3/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 4/20 0.45
TP53 P04637 3/20 0.45
KMT2A Q03164 2/20 0.45
CCKBR P32239 2/20 0.43
HIF1A Q16665 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
ABCB1 P08183 1/20 0.41
HTT P42858 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL6489141 0.92 CCKBR (0.49) POLBCCKBR
SCHEMBL6492753 0.78 POLB (0.46) RAB9APOLBPKMMAPTTP53
SCHEMBL6488303 0.78 TP53 (0.50) RAB9APOLBPKMMAPTTP53
SCHEMBL6065051 0.76 CCKBR (0.54) CCKBR
SCHEMBL6531513 0.76 CCKBR (0.50) RAB9APOLBPKMKMT2ACCKBR
SCHEMBL6500295 0.73 MAPT (0.48) RAB9APOLBPKMMAPTTP53
SCHEMBL6489556 0.72 CCKBR (0.58) RAB9AKMT2ACCKBRHIF1ANPC1
SCHEMBL6065554 0.72 CCKBR (0.53) CCKBR
SCHEMBL6064608 0.71 CCKBR (0.54) CCKBR
SCHEMBL6065159 0.70 CCKBR (0.53) 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 RAB9A 1158/4885POLB 4006/4885PKM 2223/4885

“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.