SCHEMBL5737141

SCHEMBL5737141

O=C1CCN(C(=O)OCc2ccccc2)c2cc(Oc3ccccc3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HTR1A P08908 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
HTR2C P28335 1/20 0.44
OPRK1 P41145 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
MAOB P27338 3/20 0.43
MAOA P21397 2/20 0.43
FAAH O00519 2/20 0.42
CTRB1 P17538 1/20 0.41
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NOTUM Q6P988 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL983021 0.83 RAB9A (0.69) NPC1RAB9AL3MBTL1HTR2CSMN1; SMN2
SCHEMBL13506550 0.81 NPC1 (0.54) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL14745997 0.79 NPC1 (0.53) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL17675590 0.77 RAB9A (0.64) NPC1RAB9AL3MBTL1HTR2CSMN1; SMN2
SCHEMBL3167334 0.77 RAB9A (0.57) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL3182929 0.76 NPC1 (0.56) NPC1RAB9AL3MBTL1HTR2CSMN1; SMN2
SCHEMBL22638725 0.75 NPC1 (0.63) NPC1RAB9AL3MBTL1HTR2CSLC6A3
SCHEMBL2539997 0.75 NPC1 (0.67) NPC1RAB9AL3MBTL1HTR2CSLC6A3
SCHEMBL2876191 0.74 NPC1 (0.53) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL7469639 0.72 NPC1 (1.00) NPC1RAB9AL3MBTL1SMN1; SMN2GAA

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
EP-1549309-A4 SOMATOSTATIN ANALOGUE COMPOUNDS CHEMBRIDGE RES LAB INC (US) 2006-05-17 EP disclosed
EP-1549309-A2 SOMATOSTATIN ANALOGUE COMPOUNDS ChemBridge Research Laboratories, Inc. (US) 2005-07-06 EP disclosed
US-6872827-B2 Somatostatin analogue compounds CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2005-03-29 US disclosed
US-20040019069-A1 Somatostatin analogue compounds CHEMBRIDGE CORPORATION 2004-01-29 US disclosed
WO-2003090677-A2 SOMATOSTATIN ANALOGUE COMPOUNDS CHEMBRIDGE RESEARCH LAB., LLC (US) 2003-11-06 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-20040019069-A1 Somatostatin analogue compounds SSTR2, SSTR1, SSTR4 NPC1 2071/4885RAB9A 1902/4885L3MBTL1 3630/4885

“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.