SCHEMBL5215787

SCHEMBL5215787

Nc1ccc2c(c1)N(C(=O)OCc1ccccc1)CC2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.72
RAB9A P51151 3/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
NOTUM Q6P988 1/20 0.52
TMEM97 Q5BJF2 7/20 0.46
SIGMAR1 Q99720 7/20 0.46
DHFR P00374 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
BRD4 O60885 1/20 0.44
ATAD2 Q6PL18 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43

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
SCHEMBL8760465 0.87 NPC1 (0.76) NPC1RAB9AL3MBTL1NOTUMTMEM97
SCHEMBL5215945 0.85 NPC1 (0.69) NPC1RAB9AL3MBTL1NOTUMTMEM97
SCHEMBL30659283 0.84 NPC1 (1.00) NPC1RAB9AL3MBTL1NOTUMTMEM97
SCHEMBL7469639 0.84 NPC1 (1.00) NPC1RAB9AL3MBTL1NOTUMTMEM97
SCHEMBL7754907 0.82 NPC1 (0.71) NPC1RAB9AL3MBTL1NOTUMTMEM97
SCHEMBL30987968 0.82 NPC1 (0.71) NPC1RAB9AL3MBTL1NOTUMTMEM97
SCHEMBL5212024 0.81 L3MBTL1 (0.66) NPC1RAB9AL3MBTL1NOTUMTMEM97
SCHEMBL13234279 0.81 NPC1 (0.47) NPC1RAB9AL3MBTL1TMEM97SIGMAR1
SCHEMBL1946342 0.81 TMEM97 (0.57) NPC1RAB9AL3MBTL1TMEM97SIGMAR1
SCHEMBL21965354 0.80 RAB9A (0.65) NPC1RAB9AL3MBTL1NOTUMTMEM97

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-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 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 (2 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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 NPC1 3113/4885RAB9A 2685/4885L3MBTL1 625/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 NPC1 1831/4885RAB9A 2314/4885L3MBTL1 896/4885

“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.