SCHEMBL3393778

SCHEMBL3393778

O=C(N[C@H]1CCCc2ccccc21)c1ccc2cc[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.64
CYP2D6 P10635 1/20 0.64
TAS1R3 Q7RTX0 5/20 0.62
TAS1R1 Q7RTX1 5/20 0.62
LMNA P02545 4/20 0.62
KMT2A Q03164 4/20 0.62
TAS1R2 Q8TE23 2/20 0.61
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 3/20 0.58
TAOK1 Q7L7X3 1/20 0.58
TAOK3 Q9H2K8 1/20 0.58
THRB P10828 1/20 0.57
HPGD P15428 1/20 0.57
MMP14 P50281 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CFD P00746 1/20 0.57

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
SCHEMBL3389867 1.00 HTT (0.64) HTTCYP2D6TAS1R3TAS1R1LMNA
SCHEMBL2078296 0.93 PDE4A (0.60) HTTCYP2D6TAS1R3TAS1R1LMNA
SCHEMBL3394738 0.79 CYP2D6 (0.60) HTTCYP2D6TAS1R3TAS1R1LMNA
SCHEMBL6514681 0.79 CYP2D6 (0.60) HTTCYP2D6TAS1R3TAS1R1LMNA
SCHEMBL14863654 0.79 HTT (0.60) HTTCYP2D6TAS1R3TAS1R1LMNA
SCHEMBL14863655 0.79 HTT (0.60) HTTCYP2D6TAS1R3TAS1R1LMNA
SCHEMBL2406255 0.79 HTT (1.00) HTTCYP2D6TAS1R3TAS1R1LMNA
SCHEMBL5436807 0.79 HTT (1.00) HTTCYP2D6TAS1R3TAS1R1LMNA
SCHEMBL3394677 0.78 TAS1R3 (0.64) HTTCYP2D6TAS1R3TAS1R1LMNA
SCHEMBL21780113 0.78 HTT (0.82) HTTCYP2D6TAS1R3TAS1R1LMNA

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 HTT 3365/4885CYP2D6 889/4885TAS1R3 2306/4885

“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.