Sugi Predict

Sugi Predict / Compounds / SCHEMBL2554856

SCHEMBL2554856

SCHEMBL2554856

CN1CCc2ccc(O)c3c2C1Cc1ccccc1-3

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.72
▸ DRD3 P35462 2/20 0.72
▸ HTR1A P08908 5/20 0.71
▸ DRD1 P21728 4/20 0.71
▸ KDM4E B2RXH2 6/20 0.70
▸ ALDH1A1 P00352 6/20 0.70
▸ HPGD P15428 6/20 0.70
▸ MAPT P10636 5/20 0.70
▸ MAPK1 P28482 5/20 0.70
▸ HSD17B10 Q99714 5/20 0.70
▸ TP53 P04637 4/20 0.70
▸ PKM P14618 4/20 0.70
▸ CYP2C9 P11712 4/20 0.70
▸ LMNA P02545 4/20 0.70
▸ KMT2A Q03164 3/20 0.70
▸ CYP1A2 P05177 3/20 0.70
▸ GAA P10253 3/20 0.70
▸ CYP2C19 P33261 3/20 0.70
▸ MEN1 O00255 2/20 0.70
▸ CYP3A4 P08684 2/20 0.70

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
SCHEMBL3265051 1.00 DRD2 (0.72) DRD2DRD3HTR1ADRD1KDM4E
SCHEMBL30004318 1.00 DRD2 (0.72) DRD2DRD3HTR1ADRD1KDM4E
SCHEMBL17299377 0.85 ALDH1A1 (0.64) DRD2DRD3HTR1ADRD1KDM4E
SCHEMBL17289305 0.85 ALDH1A1 (0.64) DRD2DRD3HTR1ADRD1KDM4E
SCHEMBL2572451 0.84 DRD2 (0.71) DRD2DRD3HTR1ADRD1HTR2A
SCHEMBL1692381 0.84 DRD2 (1.00) DRD2DRD3HTR1ADRD1KDM4E
Bromide SCHEMBL17291153 0.84 ALDH1A1 (0.65) DRD2DRD3HTR1ADRD1KDM4E
SCHEMBL9468568 0.84 DRD2 (0.60) DRD2DRD3HTR1ADRD1KDM4E
SCHEMBL1348125 0.83 HTR1A (1.00) DRD2DRD3HTR1ADRD1KDM4E
SCHEMBL1348123 0.83 HTR1A (1.00) DRD2DRD3HTR1ADRD1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4309542-A WITH A TRIMETHYLPHENYLAMMONIUM BASE WARNER-LAMBERT COMPANY (US) 1982-01-05 — — US claimed
US-4202980-A Process for the preparation of 1-hydroxyaporphine-derivatives WARNER-LAMBERT COMPANY (US) 1980-05-13 — — US claimed
WO-2011130530-A1 2-ALKOXY-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2011-10-20 — — WO disclosed
WO-2010019856-A1 METHODS AND KITS FOR TREATINGS STROKE AND OTHER NEUROLOGICAL CONDITIONS THE MCLEAN HOSPITAL CORPORATION (US) 2010-02-18 — — WO disclosed
US-7648995-B2 R(—)-11-hydroxyaporphine derivatives and uses thereof THE MCLEAN HOSPITAL CORPORATION (US) 2010-01-19 — — US disclosed
WO-2009009083-A1 R(-)-2-METHOXY-11-HYDROXYAPORPHINE AND DERIVATIVES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2009-01-15 — — WO disclosed
US-20080096909-A1 APOMORPHINE INHIBITORS OF AMYLOID-BETA (ABETA) FIBRIL FORMATION AND THEIR USE IN AMYLOIDOSIS BASED DISEASE CYTOKINE PHARMASCIENCES, INC. (US) 2008-04-24 — — US disclosed
US-20060040900-A1 R(-)-11-hydroxyaporphine derivatives and uses thereof MCLEAN HOSPITAL CORPORATION, THE 2006-02-23 — — US disclosed
US-20030187011-A1 Apomorphine inhibitors of amyloid-beta (Abeta) fibril formation and their use in amyloidosis based disease CYTOKINE PHARMASCIENCES, INC. 2003-10-02 — — US disclosed
WO-2003053356-A2 APOMORPHINE INHIBITORS OF AMYLOID-β (Aβ) FIBRIL FORMATION AND THEIR USE IN AMYLOIDOSIS BASED DISEASE CYTOKINE PHARMASCIENCES, INC. (US) 2003-07-03 — — WO disclosed
EP-0042659-B1 5,6,6A,7-TETRAHYDRO-4H-DIBENZ(DE,G)ISOQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GÖDECKE AKTIENGESELLSCHAFT (DE) 1984-08-29 — — EP disclosed
US-4425350-A 5,6,6a,7-Tetrahydro-4H-dibenz(de,g)-isoquinoline derivatives, and their use for treating central nervous system disorders WARNER-LAMBERT COMPANY (US) 1984-01-10 — — US disclosed
US-4309542-A WITH A TRIMETHYLPHENYLAMMONIUM BASE WARNER-LAMBERT COMPANY (US) 1982-01-05 — — US disclosed
US-4309542-A WITH A TRIMETHYLPHENYLAMMONIUM BASE WARNER-LAMBERT COMPANY (US) 1982-01-05 — — US disclosed
US-4309542-A WITH A TRIMETHYLPHENYLAMMONIUM BASE WARNER-LAMBERT COMPANY (US) 1982-01-05 — — US disclosed
EP-0042659-A1 5,6,6a,7-Tetrahydro-4H-dibenz(de,g)isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them GÖDECKE AKTIENGESELLSCHAFT (DE) 1981-12-30 — — EP disclosed
US-4202980-A Process for the preparation of 1-hydroxyaporphine-derivatives WARNER-LAMBERT COMPANY (US) 1980-05-13 — — US disclosed
US-4202980-A Process for the preparation of 1-hydroxyaporphine-derivatives WARNER-LAMBERT COMPANY (US) 1980-05-13 — — US disclosed
US-4120964-A HYPOTENSIVE AGENTS WARNER-LAMBERT COMPANY (US) 1978-10-17 — — US disclosed
US-4013664-A PSCHORR CYCLIZATION RESEARCH CORPORATION (US) 1977-03-22 — — 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-20060040900-A1 R(-)-11-hydroxyaporphine derivatives and uses thereof SNCA, HTR5A, PARK7 DRD2 23/4885DRD3 45/4885HTR1A 5/4885
US-20080096909-A1 APOMORPHINE INHIBITORS OF AMYLOID-BETA (ABETA) FIBRIL FORMATION AND THEIR USE IN AMYLOIDOSIS BASED DISEASE APP, PNMT, APOB DRD2 168/4885DRD3 233/4885HTR1A 44/4885
US-20030187011-A1 Apomorphine inhibitors of amyloid-beta (Abeta) fibril formation and their use in amyloidosis based disease PNMT, APP, MAPT DRD2 269/4885DRD3 317/4885HTR1A 41/4885

“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.