SCHEMBL17446276

SCHEMBL17446276

CCCCCCCCCCCC(=O)Oc1cccc2c1CCC(NCCC)C2

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.64
DRD3 P35462 9/20 0.64
DRD4 P21917 3/20 0.64
HTR1D P28221 2/20 0.47
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
DRD1 P21728 2/20 0.46
HTR2A P28223 2/20 0.46
PTGIR P43119 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL17446303 1.00 DRD2 (0.64) DRD2DRD3DRD4HTR1DMTNR1A
SCHEMBL17446277 1.00 DRD2 (0.64) DRD2DRD3DRD4HTR1DMTNR1A
SCHEMBL17446278 1.00 DRD2 (0.64) DRD2DRD3DRD4HTR1DMTNR1A
SCHEMBL17446304 1.00 DRD2 (0.64) DRD2DRD3DRD4HTR1DMTNR1A
SCHEMBL17446305 0.94 DRD2 (0.57) DRD2DRD3DRD4HTR1DMTNR1A
SCHEMBL2486274 0.85 DRD2 (0.72) DRD2DRD3DRD4HTR1DMTNR1A
SCHEMBL7899018 0.85 DRD2 (0.72) DRD2DRD3DRD4HTR1DMTNR1A
Bromide SCHEMBL2482899 0.84 DRD2 (0.70) DRD2DRD3DRD4HTR1DMTNR1A
SCHEMBL7454456 0.78 DRD2 (1.00) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL12072682 0.78 DRD2 (1.00) DRD2DRD3DRD4MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180177760-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N-SUBSTITUTED-2-AMINOTETRALINS, AND RELATED DOSAGE FORMS SPRIASO LLC (US) 2018-06-28 US disclosed
US-20180177760-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N-SUBSTITUTED-2-AMINOTETRALINS, AND RELATED DOSAGE FORMS SPRIASO LLC (US) 2018-06-28 US disclosed
US-9956201-B2 Compositions comprising bioreversible derivatives of hydroxy N-substituted-2-aminotetralins, and related dosage forms SPRIASO LLC (US) 2018-05-01 US disclosed
US-9956201-B2 Compositions comprising bioreversible derivatives of hydroxy N-substituted-2-aminotetralins, and related dosage forms SPRIASO LLC (US) 2018-05-01 US disclosed
WO-2016014242-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N-SUBSTITUTED-2-AMINOTETRALINS, DOSAGE FORMS, AND RELATED METHODS SPRIASO LLC (US) 2016-01-28 WO disclosed
US-20160015684-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N- SUBSTITUTED-2-AMINOTETRALINS, DOSAGE FORMS, AND RELATED METHODS SPRIASO LLC 2016-01-21 US disclosed
US-20160015684-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N- SUBSTITUTED-2-AMINOTETRALINS, DOSAGE FORMS, AND RELATED METHODS SPRIASO LLC 2016-01-21 US disclosed
US-20160016887-A1 Methods of treating a subject using bioreversible derivatives of hydroxy n-substituted-2-aminotetralins SPRIASO LLC 2016-01-21 US disclosed
US-20160016887-A1 Methods of treating a subject using bioreversible derivatives of hydroxy n-substituted-2-aminotetralins SPRIASO LLC 2016-01-21 US 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 (3 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-20160016887-A1 Methods of treating a subject using bioreversible derivatives of hydroxy n-substituted-2-aminotetralins SLC7A1, CYP2D6, SLC19A1 DRD2 1496/4885DRD3 1430/4885DRD4 1516/4885
US-20160015684-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N- SUBSTITUTED-2-AMINOTETRALINS, DOSAGE FORMS, AND RELATED METHODS SLC7A1, CYP2D6, CYP3A7 DRD2 1602/4885DRD3 1564/4885DRD4 1742/4885
US-20180177760-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N-SUBSTITUTED-2-AMINOTETRALINS, AND RELATED DOSAGE FORMS SLC7A1, CYP2D6, CYP3A7 DRD2 1234/4885DRD3 1281/4885DRD4 1474/4885

“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.