SCHEMBL3394735

SCHEMBL3394735

O=C(N[C@@H]1CCc2ccccc2C1)c1ccc2[nH]cnc2c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
SMYD3 Q9H7B4 2/20 0.51
MTNR1A P48039 5/20 0.49
MTNR1B P49286 5/20 0.49
KDM4E B2RXH2 1/20 0.46
HDAC6 Q9UBN7 3/20 0.45
HDAC8 Q9BY41 2/20 0.45
TAOK1 Q7L7X3 4/20 0.44
TAOK3 Q9H2K8 4/20 0.44
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
HSD11B1 P28845 1/20 0.42

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
SCHEMBL6514673 1.00 NPC1 (0.53) NPC1LMNASMYD3MTNR1AMTNR1B
SCHEMBL6511811 0.83 MTNR1A (0.48) SMYD3MTNR1AMTNR1BHDAC6HDAC8
SCHEMBL3392189 0.83 MTNR1A (0.48) SMYD3MTNR1AMTNR1BHDAC6HDAC8
SCHEMBL3984993 0.82 NPC1 (0.64) NPC1LMNASMYD3HDAC6
SCHEMBL3394652 0.81 MTNR1A (0.49) SMYD3MTNR1AMTNR1BHDAC6HDAC8
SCHEMBL3394417 0.81 MTNR1A (0.49) SMYD3MTNR1AMTNR1BHDAC6HDAC8
SCHEMBL3394738 0.79 CYP2D6 (0.60) LMNAKDM4E
SCHEMBL6514681 0.79 CYP2D6 (0.60) LMNAKDM4E
SCHEMBL112516 0.79 NPC1 (0.61) NPC1LMNASMYD3
SCHEMBL3389865 0.79 SMYD3 (0.58) SMYD3MTNR1AMTNR1BKDM4ETAOK1

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 425/4885LMNA 1195/4885SMYD3 623/4885

“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.