SCHEMBL6513612

SCHEMBL6513612

COc1cccc2c1CCC(NC(=O)c1ccc(F)cc1)C2

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.70
MTNR1B P49286 8/20 0.70
CA1 P00915 3/20 0.67
CA2 P00918 3/20 0.67
ACHE P22303 3/20 0.67
DRD2 P14416 7/20 0.60
DRD4 P21917 5/20 0.60
DRD3 P35462 4/20 0.60
CYP1A2 P05177 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55

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
SCHEMBL6513609 1.00 MTNR1A (0.70) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL6516803 1.00 MTNR1A (0.70) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL6518717 0.92 MTNR1A (0.82) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL6518723 0.92 MTNR1A (0.82) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL7021164 0.83 MTNR1A (1.00) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL9731034 0.83 MTNR1A (1.00) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL11960204 0.83 MTNR1A (1.00) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3390898 0.82 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL3392060 0.82 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL5522805 0.82 MTNR1A (0.60) MTNR1AMTNR1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 448/4885CA1 2237/4885

“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.