SCHEMBL6097590

SCHEMBL6097590

O=Cc1nc(C2CCCCC2)n(Cc2ccccc2)c1COC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CCKBR P32239 1/20 0.38
CYP19A1 P11511 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
POLB P06746 2/20 0.34
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPK1 P28482 1/20 0.34
BLM P54132 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HSD11B1 P28845 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6096557 0.84 KMT2A (0.40) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL6335210 0.83 KMT2A (0.39) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL6097679 0.82 CCKBR (0.40) KMT2AALDH1A1MEN1KDM4ELMNA
Lithium Ion SCHEMBL6335206 0.82 KMT2A (0.39) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL6097392 0.79 CNR2 (0.36) KMT2AALDH1A1KDM4ECCKBRTLR7
SCHEMBL6097387 0.79 CNR2 (0.36) KMT2AALDH1A1KDM4ECCKBRTLR7
SCHEMBL6099089 0.73 RIPK1 (0.43) KMT2ACCKBR
SCHEMBL6099003 0.73 CCKBR (0.39) KMT2AALDH1A1KDM4ELMNACCKBR
SCHEMBL6339911 0.69 CCKBR (0.44) KMT2AALDH1A1MEN1CCKBRCYP19A1
SCHEMBL1477271 0.66 TRPV6 (0.47) KMT2AALDH1A1MEN1MAPK1TSHR

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-20030191116-A1 Gastrin and cholecystokinin receptor ligands (III) JAMES BLACK FOUNDATION LIMITED (GB) 2003-10-09 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-20030191116-A1 Gastrin and cholecystokinin receptor ligands (III) CCKAR, CCKBR, GRPR KMT2A 4732/4885ALDH1A1 4192/4885MEN1 1096/4885

“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.