SCHEMBL6330249

SCHEMBL6330249

O=C(O)c1cccc(-c2nnc(C3=C(COC45CC6CC(CC(C6)C4)C5)NC(C4CCCCC4)N3O)o2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.43
SMN1; SMN2 Q16637 9/20 0.40
NPC1 O15118 9/20 0.40
RAB9A P51151 9/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 5/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 1/20 0.40
NR1H4 Q96RI1 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 2/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MYC P01106 1/20 0.36

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
SCHEMBL6338565 0.88 SMN1; SMN2 (0.40) CCKBRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6339248 0.76 CCKBR (0.61) CCKBRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6330472 0.71 CCKBR (0.46) CCKBRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6334504 0.69 TSHR (0.40) CCKBRSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6334704 0.68 CCKBR (0.61) CCKBRNPC1RAB9ANR1H4L3MBTL1
SCHEMBL6332091 0.68 CCKBR (0.53) CCKBRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL12170916 0.66 KMO (0.57) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL6334200 0.66 CCKBR (0.60) CCKBRNR1H4
SCHEMBL6334399 0.66 CCKBR (0.37) CCKBRHPGDTSHRCYP3A4
SCHEMBL6332352 0.65 CCKBR (0.59) CCKBRNR1H4

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.