SCHEMBL3395175

SCHEMBL3395175

COc1ccc(-n2ncc(C(=O)N[C@H]3CCCc4ccccc43)c2C)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.62
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TAS1R3 Q7RTX0 6/20 0.55
TAS1R1 Q7RTX1 6/20 0.55
TAS1R2 Q8TE23 4/20 0.55
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
RAB9A P51151 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
DHODH Q02127 1/20 0.52
GAA P10253 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL3392887 1.00 SPR (0.62) SPRALDH1A1MEN1KMT2ATAS1R3
SCHEMBL3390170 0.90 SPR (0.68) SPRALDH1A1MEN1KMT2ATAS1R3
SCHEMBL3394457 0.90 SPR (0.68) SPRALDH1A1MEN1KMT2ATAS1R3
SCHEMBL2079211 0.84 SPR (0.67) SPRALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL14977705 0.81 MEN1 (0.63) MEN1KMT2ANPC1RAB9ADHODH
SCHEMBL3395172 0.81 NPC1 (0.56) SPRALDH1A1MEN1KMT2ANPC1
SCHEMBL3392885 0.81 NPC1 (0.56) SPRALDH1A1MEN1KMT2ANPC1
SCHEMBL14977744 0.79 NOD1 (0.63) MEN1KMT2ANPC1RAB9ADHODH
SCHEMBL14977701 0.79 MEN1 (0.59) ALDH1A1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL14977611 0.78 DHODH (0.64) MEN1KMT2ANPC1RAB9ADHODH

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 SPR 4091/4885ALDH1A1 509/4885MEN1 1184/4885

“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.