SCHEMBL6330231

SCHEMBL6330231

O=C(OCc1ccccc1)c1cccc(C2=NCON2c2nc(C3CCCCC3)[nH]c2COC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.49
SMN1; SMN2 Q16637 6/20 0.38
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.33
FKBP1A P62942 2/20 0.33
ADORA1 P30542 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL6332352 0.91 CCKBR (0.59) CCKBR
SCHEMBL6330226 0.81 CCKBR (0.49) CCKBRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6330236 0.80 CCKBR (0.49) CCKBRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7985183 0.80 CCKBR (0.46) CCKBR
SCHEMBL7083603 0.77 CCKBR (0.81) CCKBRRAB9A
SCHEMBL6096321 0.77 CCKBR (0.61) CCKBRFKBP1A
SCHEMBL6334312 0.76 CCKBR (0.49) CCKBRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6332182 0.74 CCKBR (0.60) CCKBRRAB9AFKBP1A
SCHEMBL6332186 0.74 CCKBR (0.60) CCKBRRAB9AFKBP1A
SCHEMBL6332183 0.74 CCKBR (0.60) CCKBRSMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2/4885SMN1; SMN2 4720/4885NPC1 1740/4885

“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.