SCHEMBL3389865

SCHEMBL3389865

O=C(N[C@@H]1CCc2ccccc2C1)c1ccc2cc[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.58
MAPK11 Q15759 1/20 0.55
MAPK14 Q16539 1/20 0.55
MTNR1A P48039 4/20 0.51
MTNR1B P49286 4/20 0.51
CHRNA7 P36544 2/20 0.51
HSD11B1 P28845 2/20 0.49
F10 P00742 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
ENPP2 Q13822 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTR3A P46098 1/20 0.48
TAOK1 Q7L7X3 3/20 0.45
TAOK3 Q9H2K8 3/20 0.45
KDM5A P29375 1/20 0.44

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
SCHEMBL3393775 1.00 SMYD3 (0.58) SMYD3MAPK11MAPK14MTNR1AMTNR1B
SCHEMBL2078292 0.91 SMYD3 (0.61) SMYD3MAPK11MAPK14CHRNA7HSD11B1
SCHEMBL2078296 0.81 PDE4A (0.60) SMYD3CHRNA7HSD11B1F10KDM4E
SCHEMBL3394735 0.79 NPC1 (0.53) SMYD3MTNR1AMTNR1BHSD11B1KDM4E
SCHEMBL6514673 0.79 NPC1 (0.53) SMYD3MTNR1AMTNR1BHSD11B1KDM4E
SCHEMBL24950457 0.78 SMYD3 (0.67) SMYD3MAPK11MAPK14CHRNA7F10
SCHEMBL9731843 0.78 MTNR1A (0.67) MTNR1AMTNR1BTAOK1TAOK3
SCHEMBL3389867 0.77 HTT (0.64) KDM4EALDH1A1HPGDHSD17B10TAOK1
SCHEMBL3393778 0.77 HTT (0.64) KDM4EALDH1A1HPGDHSD17B10TAOK1
SCHEMBL3394417 0.77 MTNR1A (0.49) SMYD3MTNR1AMTNR1BHSD11B1TAOK1

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 SMYD3 623/4885MAPK11 1872/4885MAPK14 2811/4885

“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.