SCHEMBL1204517

SCHEMBL1204517

COc1cc2c3c(c1)-c1c(O)cccc1C[C@H]3N(C)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 6/20 1.00
HTR1A P08908 4/20 1.00
DRD2 P14416 3/20 1.00
DRD3 P35462 2/20 0.77
HTR2A P28223 3/20 0.66
HTR2C P28335 3/20 0.66
HTR2B P41595 3/20 0.66

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
SCHEMBL1204032 1.00 DRD1 (1.00) DRD1HTR1ADRD2DRD3HTR2A
SCHEMBL2575374 0.88 DRD1 (0.86) DRD1HTR1ADRD2DRD3HTR2A
SCHEMBL15170601 0.88 DRD1 (0.80) DRD1HTR1ADRD2DRD3
SCHEMBL15180818 0.87 DRD2 (0.78) DRD1HTR1ADRD2HTR2AHTR2C
SCHEMBL2573044 0.87 DRD1 (0.77) DRD1HTR1ADRD2DRD3
SCHEMBL1203363 0.87 DRD1 (1.00) DRD1HTR1ADRD2DRD3HTR2A
SCHEMBL15169712 0.87 DRD1 (0.77) DRD1HTR1ADRD2DRD3
SCHEMBL1204062 0.87 DRD1 (1.00) DRD1HTR1ADRD2DRD3HTR2A
SCHEMBL8097389 0.86 DRD1 (0.77) DRD1HTR1ADRD2DRD3
SCHEMBL2571807 0.86 DRD1 (0.76) DRD1HTR1ADRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166531-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF THE MCLEAN HOSPITAL CORPORATION 2017-06-15 US claimed
US-20130209362-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2013-08-15 US claimed
US-8431591-B2 R(−)-2-methoxy-11-hydroxyaporphine and derivatives thereof THE MCLEAN HOSPITAL CORPORATION (US) 2013-04-30 US claimed
US-20110034446-A1 R(-)-2-METHOXY-11-HYDROXYAPORPHINE AND DERIVATIVES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2011-02-10 US claimed
US-10081600-B2 2-alkoxy-11-hydroxyaporphine derivatives and uses thereof THE MCLEAN HOSPITAL CORPORATION (US) 2018-09-25 US disclosed
US-20170166531-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF THE MCLEAN HOSPITAL CORPORATION 2017-06-15 US disclosed
US-9517279-B2 2-alkoxy-11-hydroxyaporphine derivatives and uses thereof THE MCLEAN HOSPITAL CORPORATION (US) 2016-12-13 US disclosed
US-20130209362-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2013-08-15 US disclosed
US-8431591-B2 R(−)-2-methoxy-11-hydroxyaporphine and derivatives thereof THE MCLEAN HOSPITAL CORPORATION (US) 2013-04-30 US disclosed
US-8431591-B2 R(−)-2-methoxy-11-hydroxyaporphine and derivatives thereof THE MCLEAN HOSPITAL CORPORATION (US) 2013-04-30 US disclosed
US-8431591-B2 R(−)-2-methoxy-11-hydroxyaporphine and derivatives thereof THE MCLEAN HOSPITAL CORPORATION (US) 2013-04-30 US disclosed
US-7893280-B2 2,4-disubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA NV (BE) 2011-02-22 US disclosed
US-20110034446-A1 R(-)-2-METHOXY-11-HYDROXYAPORPHINE AND DERIVATIVES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2011-02-10 US disclosed
US-20110034446-A1 R(-)-2-METHOXY-11-HYDROXYAPORPHINE AND DERIVATIVES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2011-02-10 US disclosed
US-20110034446-A1 R(-)-2-METHOXY-11-HYDROXYAPORPHINE AND DERIVATIVES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2011-02-10 US disclosed
WO-2009009083-A1 R(-)-2-METHOXY-11-HYDROXYAPORPHINE AND DERIVATIVES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2009-01-15 WO disclosed
WO-2009009083-A1 R(-)-2-METHOXY-11-HYDROXYAPORPHINE AND DERIVATIVES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2009-01-15 WO disclosed
WO-2009009083-A1 R(-)-2-METHOXY-11-HYDROXYAPORPHINE AND DERIVATIVES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2009-01-15 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-10081600-B2 2-alkoxy-11-hydroxyaporphine derivatives and uses thereof HTR5A, HTR2C, HTR3A DRD1 25/4885HTR1A 7/4885DRD2 11/4885
US-20130209362-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF HTR5A, HTR2C, HTR3A DRD1 25/4885HTR1A 7/4885DRD2 11/4885
US-20110034446-A1 R(-)-2-METHOXY-11-HYDROXYAPORPHINE AND DERIVATIVES THEREOF SNCA, HTR3A, PARK7 DRD1 30/4885HTR1A 4/4885DRD2 18/4885
US-20170166531-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF HTR5A, HTR2C, HTR3A DRD1 25/4885HTR1A 7/4885DRD2 11/4885

“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.