SCHEMBL2485216

SCHEMBL2485216

N[C@H]1CCc2c(CCCO)cccc2C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.56
DRD3 P35462 4/20 0.56
PLAU P00749 1/20 0.45
HTR6 P50406 1/20 0.41
ANPEP P15144 1/20 0.36
OPRK1 P41145 1/20 0.36
TBXA2R P21731 1/20 0.36
MAPT P10636 2/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.35
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL1682787 1.00 DRD2 (0.56) DRD2DRD3PLAUHTR6ANPEP
SCHEMBL7554445 0.84 DRD2 (0.63) DRD2DRD3PLAUHTR6ANPEP
SCHEMBL4099869 0.82 TBXA2R (0.36) DRD2DRD3TBXA2R
SCHEMBL2486276 0.80 DRD2 (0.48) DRD2DRD3PLAUHTR6TBXA2R
SCHEMBL526993 0.80 TBXA2R (0.55) DRD2DRD3PLAUHTR6TBXA2R
Bromide SCHEMBL2482900 0.79 DRD2 (0.47) DRD2DRD3PLAUHTR6TBXA2R
Hydrochloric Acid SCHEMBL9255960 0.75 DRD2 (0.51) DRD2DRD3PLAUHTR6TBXA2R
SCHEMBL9070606 0.74 BCL2L1 (0.44) TBXA2RALDH1A1
SCHEMBL11355027 0.74 BCL2L1 (0.48) TBXA2RALDH1A1KDM4E
SCHEMBL15078827 0.74 ALDH1A1 (0.55) DRD2DRD3HTR6TBXA2RALDH1A1

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-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-20160016887-A1 Methods of treating a subject using bioreversible derivatives of hydroxy n-substituted-2-aminotetralins SPRIASO LLC 2016-01-21 US disclosed
US-8513438-B2 Process for the preparation of (6S)-(-)-5,6,7,8-tetrahydro-6-[propyl-(2-thienyl)ethyl]amino-1-naphthol (Rotigotine) INTERQUIM, S.A. (ES) 2013-08-20 US disclosed
US-20110306776-A1 PROCESS FOR THE PREPARATION OF (6S)-(-)-5,6,7,8-TETRAHYDRO-6-[PROPYL-(2-THIENYL)ETHYL]AMINO-1-NAPHTHOL (ROTIGOTINE) INTERQUIM, S.A. (ES) 2011-12-15 US disclosed
EP-2376470-A1 PROCESS FOR THE PREPARATION OF (6S)-(-)-5,6,7,8-TETRAHYDRO-6-ÝPROPYL-(2-THIENYL)ETHYL¨AMINO-1-NAPHTHOL (ROTIGOTINE) Interquim, S.A (ES) 2011-10-19 EP disclosed
WO-2010066755-A1 PROCESS FOR THE PREPARATION OF (6S)-(-)-5,6,7,8-TETRAHYDRO-6-[PROPYL-(2-THIENYL)ETHYL]AMINO-1-NAPHTHOL (ROTIGOTINE) INTERQUIM, S.A. (ES) 2010-06-17 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 (4 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 1430/4885PLAU 1137/4885
US-20160015684-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N- SUBSTITUTED-2-AMINOTETRALINS, DOSAGE FORMS, AND RELATED METHODS SLC7A1, CYP2D6, CYP3A7 DRD2 1602/4885DRD3 1564/4885PLAU 1810/4885
US-20180177760-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N-SUBSTITUTED-2-AMINOTETRALINS, AND RELATED DOSAGE FORMS SLC7A1, CYP2D6, CYP3A7 DRD2 1234/4885DRD3 1281/4885PLAU 1748/4885
US-20110306776-A1 PROCESS FOR THE PREPARATION OF (6S)-(-)-5,6,7,8-TETRAHYDRO-6-[PROPYL-(2-THIENYL)ETHYL]AMINO-1-NAPHTHOL (ROTIGOTINE) NAT1, COMT, PARK7 DRD2 228/4885DRD3 161/4885PLAU 3158/4885

“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.