SCHEMBL5767472

SCHEMBL5767472

CN(C)CC(=O)NCc1ccccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.62
RAB9A P51151 3/20 0.62
HTT P42858 2/20 0.61
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
ALDH1A1 P00352 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
LMNA P02545 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDM4E B2RXH2 2/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL30259918 0.81 HTT (0.71) NPC1RAB9AHTTKMT2AMEN1
SCHEMBL2910835 0.81 HTT (0.71) NPC1RAB9AHTTKMT2AMEN1
SCHEMBL14224535 0.80 LMNA (0.52) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL23933076 0.80 NPC1 (0.66) NPC1RAB9AHTTKMT2AMEN1
SCHEMBL8740727 0.80 NPC1 (0.70) NPC1RAB9AHTTKMT2AMEN1
SCHEMBL31531439 0.78 KMT2A (0.45) NPC1RAB9AHTTKMT2AMEN1
SCHEMBL7933993 0.78 NPC1 (0.68) NPC1RAB9AHTTKMT2AMEN1
SCHEMBL28822079 0.78 NPC1 (0.68) NPC1RAB9AHTTKMT2AMEN1
SCHEMBL30823579 0.78 NPC1 (0.68) NPC1RAB9AHTTKMT2AMEN1
SCHEMBL1433979 0.78 NPC1 (0.72) NPC1RAB9AHTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US disclosed
EP-1638944-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 NPC1 648/4885RAB9A 3002/4885HTT 1680/4885

“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.