SCHEMBL3394439

SCHEMBL3394439

Cc1ccc(C(=O)N[C@H]2CCc3ccccc3C2)cn1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.60
MTNR1B P49286 5/20 0.60
TAOK1 Q7L7X3 4/20 0.49
TAOK3 Q9H2K8 4/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SLC18A3 Q16572 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
GRM5 P41594 4/20 0.46
ADORA2A P29274 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL3394258 1.00 MTNR1A (0.60) MTNR1AMTNR1BTAOK1TAOK3HDAC1
SCHEMBL3795877 0.93 MTNR1A (0.51) MTNR1AMTNR1BHDAC1HDAC6SLC18A3
SCHEMBL6515277 0.85 ALDH1A1 (0.61) MTNR1AMTNR1BTAOK1TAOK3HDAC8
SCHEMBL3423083 0.85 ALDH1A1 (0.61) MTNR1AMTNR1BTAOK1TAOK3HDAC8
SCHEMBL3395170 0.84 MTNR1A (0.62) MTNR1AMTNR1BTAOK1TAOK3ADORA2A
SCHEMBL3388818 0.84 MTNR1A (0.62) MTNR1AMTNR1BTAOK1TAOK3ADORA2A
SCHEMBL3391913 0.83 GRM5 (0.52) MTNR1AMTNR1BTAOK1TAOK3HDAC6
SCHEMBL3393208 0.83 GRM5 (0.52) MTNR1AMTNR1BTAOK1TAOK3HDAC6
SCHEMBL3422682 0.82 MTNR1A (0.50) MTNR1AMTNR1BTAOK1TAOK3HDAC8
SCHEMBL3390877 0.82 MTNR1A (0.50) MTNR1AMTNR1BTAOK1TAOK3HDAC8

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.