SCHEMBL3392185

SCHEMBL3392185

O=C(N[C@@H]1CCc2ccccc2C1)c1cccc2[nH]ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.51
MTNR1B P49286 5/20 0.51
TRPV1 Q8NER1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
SYK P43405 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ADORA2A P29274 1/20 0.43

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
SCHEMBL3394672 1.00 MTNR1A (0.51) MTNR1AMTNR1BTRPV1L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL2039646 0.82 L3MBTL1 (0.56) TRPV1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL25224750 0.80 ALDH1A1 (0.59) L3MBTL1KDM4EALDH1A1HPGDHDAC1
SCHEMBL3394677 0.78 TAS1R3 (0.64) ALDH1A1
SCHEMBL7448068 0.78 TAS1R3 (0.53) L3MBTL1KDM4EALDH1A1HPGDHDAC1
SCHEMBL21489885 0.78 SMYD3 (0.53) L3MBTL1KDM4EALDH1A1HPGDHDAC1
SCHEMBL19710495 0.78 SMYD3 (0.53) L3MBTL1KDM4EALDH1A1HPGDHDAC1
SCHEMBL7448059 0.78 TAS1R3 (0.53) L3MBTL1KDM4EALDH1A1HPGDHDAC1
SCHEMBL3389865 0.76 SMYD3 (0.58) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL3393775 0.76 SMYD3 (0.58) MTNR1AMTNR1BKDM4EALDH1A1HPGD

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 448/4885TRPV1 3680/4885

“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.