SCHEMBL3394652

SCHEMBL3394652

Cc1nc2cc(C(=O)N[C@@H]3CCc4ccccc4C3)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.49
MTNR1B P49286 5/20 0.49
SMYD3 Q9H7B4 1/20 0.45
HSD11B1 P28845 2/20 0.44
TAOK1 Q7L7X3 4/20 0.43
TAOK3 Q9H2K8 4/20 0.42
ADORA2A P29274 1/20 0.42
CHEK1 O14757 1/20 0.42
RAB9A P51151 1/20 0.42
HSP90AA1 P07900 1/20 0.41
ESR2 Q92731 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL3394417 1.00 MTNR1A (0.49) MTNR1AMTNR1BSMYD3HSD11B1TAOK1
SCHEMBL2459033 0.81 SMYD3 (0.43) SMYD3HSD11B1TAOK1TAOK3RAB9A
SCHEMBL6514673 0.81 NPC1 (0.53) MTNR1AMTNR1BSMYD3HSD11B1TAOK1
SCHEMBL3394735 0.81 NPC1 (0.53) MTNR1AMTNR1BSMYD3HSD11B1TAOK1
SCHEMBL2463381 0.81 SMYD3 (0.43) SMYD3CHEK1RAB9AHSP90AA1ESR2
SCHEMBL6511811 0.81 MTNR1A (0.48) MTNR1AMTNR1BSMYD3TAOK1TAOK3
SCHEMBL3392189 0.81 MTNR1A (0.48) MTNR1AMTNR1BSMYD3TAOK1TAOK3
SCHEMBL3394421 0.79 TAS1R3 (0.62)
SCHEMBL3394657 0.79 TAS1R3 (0.62)
SCHEMBL5138795 0.77 FAAH (0.46) MTNR1AMTNR1BRAB9A

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 448/4885SMYD3 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.