SCHEMBL3392885

SCHEMBL3392885

COc1ccc(-n2ncc(C(=O)N[C@@H]3CCc4ccccc4C3)c2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
PKM P14618 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
MTNR1A P48039 4/20 0.46
MTNR1B P49286 4/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL3395172 1.00 NPC1 (0.56) NPC1RAB9APKMSMN1; SMN2MAPT
SCHEMBL3394452 0.90 RAB9A (0.52) NPC1RAB9APKMSMN1; SMN2NFKB1
SCHEMBL3390165 0.90 RAB9A (0.52) NPC1RAB9APKMSMN1; SMN2NFKB1
SCHEMBL2079208 0.82 RAB9A (0.57) NPC1RAB9APKMSMN1; SMN2NFKB1
SCHEMBL3392887 0.81 SPR (0.62) NPC1RAB9APKMKMT2AMEN1
SCHEMBL3395175 0.81 SPR (0.62) NPC1RAB9APKMKMT2AMEN1
SCHEMBL360405 0.79 NPC1 (0.53) NPC1RAB9APKMSMN1; SMN2MAPT
SCHEMBL360081 0.79 NPC1 (0.53) NPC1RAB9APKMSMN1; SMN2MAPT
SCHEMBL546126 0.76 BRAF (0.45) NPC1RAB9APKMNFKB1NFKB2
SCHEMBL4788131 0.75 TRPV4 (0.49) NPC1RAB9APKMPOLBMTNR1A

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-1370530-B1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL SANOFI AVENTIS DEUTSCHLAND (DE) 2010-12-29 EP disclosed
US-6949556-B2 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-09-27 US disclosed
EP-1370530-A1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL Aventis Pharma Deutschland GmbH (DE) 2003-12-17 EP disclosed
US-20030022935-A1 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-01-30 US disclosed
WO-2002064565-A1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 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-20030022935-A1 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents VEGFA, EDNRA, NR1H2 NPC1 425/4885RAB9A 2507/4885PKM 2394/4885

“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.