Sugi Predict

Sugi Predict / Compounds / SCHEMBL867845

SCHEMBL867845

SCHEMBL867845

COc1ccc(OC)c2c1CC(N)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 4/20 1.00
▸ DRD2 P14416 3/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ ACHE P22303 2/20 0.46
▸ AADAT Q8N5Z0 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ DRD1 P21728 2/20 0.39

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
Hydrochloric Acid SCHEMBL10447053 0.98 ADRA1A (0.95) ADRA1ADRD2DRD3ACHEAADAT
SCHEMBL31143007 0.88 ADRA1A (0.78) ADRA1ADRD2DRD3ACHEAADAT
SCHEMBL24734855 0.86 ADRA1A (1.00) ADRA1ADRD2DRD3CYP1A2
Hydrochloric Acid SCHEMBL8669188 0.84 ADRA1A (0.96) ADRA1ADRD2DRD3CYP1A2
Bromide SCHEMBL25243558 0.84 ADRA1A (0.96) ADRA1ADRD2DRD3CYP1A2
Hydrochloric Acid SCHEMBL30861222 0.84 ADRA1A (0.96) ADRA1ADRD2DRD3CYP1A2
SCHEMBL24650805 0.82 ADRA1A (0.68) ADRA1ADRD2DRD3ACHEAADAT
SCHEMBL9580334 0.82 ADRA1A (0.69) ADRA1ADRD2DRD3ACHEMAOA
SCHEMBL24650787 0.81 ADRA1A (0.66) ADRA1ADRD2DRD3AADATKDM4E
SCHEMBL385443 0.80 DRD2 (0.73) ADRA1ADRD2DRD3

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532398-A1 N-(4,7-dimethoxyindan-2-yle)-1-(phenylcarbonyl)-N-propyle-piperidine-4-methane amines, their preparation and their therapeutical application SYNTHELABO (FR) 1993-03-17 — — EP claimed
US-9040559-B2 BETA2-adrenoceptor agonists NOVARTIS AG (CH) 2015-05-26 — — US disclosed
US-20140343091-A1 BETA2-ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2014-11-20 — — US disclosed
US-8796307-B2 Beta2-adrenoreceptor agonists NOVARTIS AG (CH) 2014-08-05 — — US disclosed
US-20140066478-A1 Beta2-Adrenoreceptor Agonists NOVARTIS AG (CH) 2014-03-06 — — US disclosed
US-8658673-B2 BETA2-adrenoreceptor agonists NOVARTIS AG (CH) 2014-02-25 — — US disclosed
US-20130231367-A1 BETA2-ADRENORECEPTOR AGONISTS NOVARTIS AG (CH) 2013-09-05 — — US disclosed
US-8436017-B2 Beta-2-adrenoreceptor agonists NOVARTIS AG (CH) 2013-05-07 — — US disclosed
EP-2332915-B1 Beta2-adrenoceptor agonists NOVARTIS AG (CH) 2013-02-27 — — EP disclosed
US-20120302531-A1 beta-2-Adrenoreceptor Agonists CUENOUD BERNARD (GB) 2012-11-29 — — US disclosed
CN-1166622-C 2-amino-1, 2-indanes as selective dopamine D3 ligands �������Ŷ���Լ��������˾ 2004-09-15 — — CN disclosed
CN-1140526-C 8-Azabicyclo [3,2,1] octane-3-methanamine derivatives as ligands of D2 and D3 dopamine and 5HT1A and 5HT2 serotonin receptors ʥŵ��-�ϳ�ʵ���ҹ�˾ 2004-03-03 — — CN disclosed
EP-1183240-A1 BETA2-ADRENOCEPTOR AGONISTS Novartis AG (CH) 2002-03-06 — — EP disclosed
EP-1021442-B1 8-AZABICYCLO 3.2.1] OCTANE-3-METHANAMINE DERIVATIVES AS LIGANDS OF D2 AND D3 DOPAMINE AND 5HT1A AND 5HT2 SEROTONIN RECEPTORS SANOFI SYNTHELABO (FR) 2002-01-30 — — EP disclosed
US-6221879-B1 8-azabicyclo[3.2.1] octane-3-methanamine derivatives as ligands of D2 and D3 dopamine and 5HT1A and 5HT2 serotonin receptors SANOFI-SYNTHELABO (FR) 2001-04-24 — — US disclosed
CN-1281455-A 8-Azabicyclo [3,2,1] octane-3-methanamine derivatives as ligands of D2 and D3 dopamine and 5HT1A and 5HT2 serotonin receptors SANOFI SYNTHELABO (FR) 2001-01-24 — — CN disclosed
WO-2000075114-A1 BETA2-ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2000-12-14 — — WO disclosed
CN-1172469-A 2 -aminoindans as selective dopamine D3 ligands UPJOHN CO (US) 1998-02-04 — — CN disclosed
EP-0532398-A1 N-(4,7-dimethoxyindan-2-yle)-1-(phenylcarbonyl)-N-propyle-piperidine-4-methane amines, their preparation and their therapeutical application SYNTHELABO (FR) 1993-03-17 — — EP disclosed
CN-1047859-A Benzo cycloalkane derivatives and preparation method thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1990-12-19 — — CN 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-20140066478-A1 Beta2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 ADRA1A 9/4885DRD2 248/4885DRD3 325/4885
US-20140343091-A1 BETA2-ADRENOCEPTOR AGONISTS ADRB2, ADRB1, ADRA2A ADRA1A 8/4885DRD2 121/4885DRD3 195/4885
US-20130231367-A1 BETA2-ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRB3 ADRA1A 7/4885DRD2 268/4885DRD3 297/4885
US-20120302531-A1 beta-2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 ADRA1A 9/4885DRD2 240/4885DRD3 286/4885

“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.