SCHEMBL3392189

SCHEMBL3392189

O=C(N[C@H]1CCc2ccccc2C1)c1ccc2[nH]nnc2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.48
MTNR1B P49286 5/20 0.48
TAOK1 Q7L7X3 4/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
SYK P43405 1/20 0.42
TAOK3 Q9H2K8 4/20 0.41
NAMPT P43490 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6511811 1.00 MTNR1A (0.48) MTNR1AMTNR1BTAOK1HDAC8HDAC6
SCHEMBL6514673 0.83 NPC1 (0.53) MTNR1AMTNR1BTAOK1HDAC8HDAC6
SCHEMBL3394735 0.83 NPC1 (0.53) MTNR1AMTNR1BTAOK1HDAC8HDAC6
SCHEMBL3394652 0.81 MTNR1A (0.49) MTNR1AMTNR1BTAOK1HDAC8HDAC6
SCHEMBL3394417 0.81 MTNR1A (0.49) MTNR1AMTNR1BTAOK1HDAC8HDAC6
SCHEMBL6511815 0.78 HTT (0.60) HPGD
SCHEMBL3392193 0.78 HTT (0.60) HPGD
SCHEMBL3389865 0.76 SMYD3 (0.58) MTNR1AMTNR1BTAOK1TAOK3SMYD3
SCHEMBL3393775 0.76 SMYD3 (0.58) MTNR1AMTNR1BTAOK1TAOK3SMYD3
SCHEMBL9731843 0.75 MTNR1A (0.67) MTNR1AMTNR1BTAOK1TAOK3

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 MTNR1A 604/4885MTNR1B 448/4885TAOK1 4329/4885

“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.