SCHEMBL1203699

SCHEMBL1203699

CCCN1CCc2cccc3c2[C@H]1Cc1cccc(O)c1-3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 9/20 1.00
▸ TH P07101 4/20 1.00
▸ HTR1A P08908 4/20 1.00
▸ DRD3 P35462 4/20 1.00
▸ DRD1 P21728 4/20 1.00
▸ HTR2A P28223 1/20 1.00
▸ KDM4E B2RXH2 2/20 0.81
▸ GMNN O75496 2/20 0.81
▸ LMNA P02545 2/20 0.81
▸ MAPT P10636 2/20 0.81
▸ HPGD P15428 2/20 0.81
▸ MAPK1 P28482 2/20 0.81
▸ GFER P55789 2/20 0.81
▸ PMP22 Q01453 2/20 0.81
▸ KMT2A Q03164 2/20 0.81
▸ SMN1; SMN2 Q16637 2/20 0.81
▸ TDP1 Q9NUW8 2/20 0.81
▸ RGS12 O14924 1/20 0.81
▸ TP53 P04637 1/20 0.81
▸ CYP1A2 P05177 1/20 0.81

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
SCHEMBL10754712 1.00 DRD2 (1.00) DRD2THHTR1ADRD3DRD1
SCHEMBL1203698 1.00 DRD2 (1.00) DRD2THHTR1ADRD3DRD1
Hydrochloric Acid SCHEMBL10752801 0.99 DRD2 (0.98) DRD2THHTR1ADRD3DRD1
SCHEMBL15180898 0.93 DRD2 (0.87) DRD2THHTR1ADRD3DRD1
SCHEMBL1345058 0.90 DRD2 (0.82) DRD2THHTR1ADRD3DRD1
SCHEMBL1345853 0.90 DRD2 (0.82) DRD2THHTR1ADRD3DRD1
R-N-Propylnorapomorphine SCHEMBL13398114 0.90 DRD2 (1.00) DRD2THHTR1ADRD3DRD1
R-N-Propylnorapomorphine SCHEMBL13487203 0.90 DRD2 (1.00) DRD2THHTR1ADRD3DRD1
R-N-Propylnorapomorphine SCHEMBL29447877 0.90 DRD2 (1.00) DRD2THHTR1ADRD3DRD1
R-N-Propylnorapomorphine SCHEMBL249729 0.90 DRD2 (1.00) DRD2THHTR1ADRD3DRD1

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 16 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 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-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-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-8063060-B2 R(−)-11-hydroxyaporphine derivatives and uses thereof THE MCLEAN HOSPITAL CORPORATION (US) 2011-11-22 — — US disclosed
WO-2011130530-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2011-10-20 — — WO 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-7648995-B2 R(—)-11-hydroxyaporphine derivatives and uses thereof THE MCLEAN HOSPITAL CORPORATION (US) 2010-01-19 — — US disclosed
US-20060040900-A1 R(-)-11-hydroxyaporphine derivatives and uses thereof MCLEAN HOSPITAL CORPORATION, THE 2006-02-23 — — US disclosed
US-20060004190-A1 Glycoside and orthoester glycoside derivatives of apomorphine, analogs, and uses thereof A&D BIOSCIENCE, INC. 2006-01-05 — — US disclosed
US-4687773-A PSYCHOLOGICAL DISORDERS MCLEAN HOSPITAL (US) 1987-08-18 — — 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 (5 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-20060040900-A1 R(-)-11-hydroxyaporphine derivatives and uses thereof SNCA, HTR5A, PARK7 DRD2 23/4885TH 329/4885HTR1A 5/4885
US-20130209362-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF HTR5A, HTR2C, HTR3A DRD2 11/4885TH 278/4885HTR1A 7/4885
US-20110034446-A1 R(-)-2-METHOXY-11-HYDROXYAPORPHINE AND DERIVATIVES THEREOF SNCA, HTR3A, PARK7 DRD2 18/4885TH 119/4885HTR1A 4/4885
US-20170166531-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF HTR5A, HTR2C, HTR3A DRD2 11/4885TH 278/4885HTR1A 7/4885
US-20060004190-A1 Glycoside and orthoester glycoside derivatives of apomorphine, analogs, and uses thereof DBH, DOHH, THOP1 DRD2 1503/4885TH 549/4885HTR1A 1103/4885

“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.

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