SCHEMBL6097679

SCHEMBL6097679

O=C(OCc1ccccc1)c1nc(C2CCCCC2)n(Cc2ccccc2)c1COC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.40
FKBP1A P62942 2/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
ADORA3 P0DMS8 3/20 0.35
HSD11B1 P28845 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHX2 P34913 1/20 0.35
EP300 Q09472 1/20 0.34
HIF1A Q16665 1/20 0.34
CREBBP Q92793 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
SCHEMBL6097590 0.82 KMT2A (0.40) CCKBRKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6335210 0.81 KMT2A (0.39) CCKBRFKBP1AKMT2AMEN1ALDH1A1
Lithium Ion SCHEMBL6335206 0.80 KMT2A (0.39) CCKBRFKBP1AKMT2AMEN1ALDH1A1
SCHEMBL6096321 0.78 CCKBR (0.61) CCKBRFKBP1AADORA3EPHX2EP300
SCHEMBL6160554 0.77 FKBP1A (0.39) FKBP1AKMT2AALDH1A1ADORA3TSHR
SCHEMBL6099089 0.74 RIPK1 (0.43) CCKBRKMT2A
SCHEMBL6099003 0.74 CCKBR (0.39) CCKBRKMT2AALDH1A1KDM4ELMNA
SCHEMBL6097387 0.73 CNR2 (0.36) CCKBRKMT2AALDH1A1KDM4EHTT
SCHEMBL6097392 0.73 CNR2 (0.36) CCKBRKMT2AALDH1A1KDM4EHTT
SCHEMBL6330492 0.72 GPR119 (0.36) FKBP1AKMT2AMEN1ALDH1A1POLB

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-7034048-B2 Gastrin and cholecystokinin receptor ligands (III) JAMES BLACK FOUNDATION LIMITED (GB) 2006-04-25 US disclosed
US-6878734-B2 Gastrin and cholecystokinin receptor ligands(II) JAMES BLACK FOUNDATION LIMITED (GB) 2005-04-12 US disclosed
US-20030199565-A1 Gastrin and cholecystokinin receptor ligands(II) JAMES BLACK FOUNDATION LIMITED (GB) 2003-10-23 US disclosed
WO-2001085724-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (III) JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 WO disclosed
WO-2001085723-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (II) JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 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-20030199565-A1 Gastrin and cholecystokinin receptor ligands(II) GRPR, CCKBR, GIPR CCKBR 2/4885FKBP1A 1271/4885KMT2A 4765/4885

“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.