SCHEMBL7211796

SCHEMBL7211796

c1ccc(CCCCNCCOc2cccc3[nH]ccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.73
SLC6A4 P31645 5/20 0.73
DRD2 P14416 2/20 0.73
DRD4 P21917 2/20 0.73
DRD3 P35462 2/20 0.73
KMT2A Q03164 1/20 0.56
HTR1B P28222 1/20 0.55
ADRB2 P07550 1/20 0.50
MCL1 Q07820 1/20 0.49

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
SCHEMBL12629128 0.87 DRD2 (0.67) HTR1ASLC6A4DRD2DRD4DRD3
SCHEMBL7206828 0.85 DRD2 (1.00) HTR1ASLC6A4DRD2DRD4DRD3
SCHEMBL12629127 0.83 DRD2 (0.68) HTR1ASLC6A4DRD2DRD4DRD3
SCHEMBL7297780 0.82 ADRB3 (0.68) HTR1ADRD4DRD3KMT2AHTR1B
SCHEMBL7285328 0.81 ADRB3 (0.67) HTR1ADRD4DRD3KMT2AHTR1B
SCHEMBL7296273 0.81 ADRB3 (0.67) HTR1ADRD4DRD3KMT2AHTR1B
SCHEMBL7846504 0.81 HTR1A (1.00) HTR1ASLC6A4DRD2DRD4DRD3
SCHEMBL9096899 0.81 HTR1A (0.65) HTR1ASLC6A4DRD2DRD4DRD3
SCHEMBL10731550 0.80 DRD2 (0.62) HTR1ASLC6A4DRD2DRD4DRD3
SCHEMBL10736268 0.80 DRD2 (0.62) HTR1ASLC6A4DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923548-B1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT 1A LIGANDS WYETH CORP (US) 2003-03-12 EP claimed
US-5958965-A TREATMENT OF DISEASES ATTENDING DISTURBANCES IN THE SEROTINERGIC SYSTEMS, SUCH AS ANXIETY, STRESS, DEPRESSION, SEXUAL DYSFUNCTIONS AND SLEEP DISTURBANCES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-09-28 US claimed
EP-0923548-A1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT 1A? LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-06-23 EP claimed
WO-1998008817-A1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT1A LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-05 WO claimed
US-20070117788-A1 Combination of a dopamine D2-receptor agonist and tiotropium or a derivative therof for treating obstructive airways and other inflammatory diseases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-05-24 US disclosed
US-20070117788-A1 Combination of a dopamine D2-receptor agonist and tiotropium or a derivative therof for treating obstructive airways and other inflammatory diseases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-05-24 US disclosed
EP-0923548-B1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT 1A LIGANDS WYETH CORP (US) 2003-03-12 EP disclosed
EP-0923551-B1 4-AMINOETHOXY INDOLONE DERIVATIVES AMERICAN HOME PROD (US) 2002-06-05 EP disclosed
US-5958965-A TREATMENT OF DISEASES ATTENDING DISTURBANCES IN THE SEROTINERGIC SYSTEMS, SUCH AS ANXIETY, STRESS, DEPRESSION, SEXUAL DYSFUNCTIONS AND SLEEP DISTURBANCES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-09-28 US disclosed
EP-0923551-A1 4-AMINOETHOXY INDOLONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-06-23 EP disclosed
EP-0923548-A1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT 1A? LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-06-23 EP disclosed
US-5817690-A ANTIDOPAMINE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-10-06 US disclosed
WO-1998008819-A1 4-AMINOETHOXY INDOLONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-05 WO disclosed
WO-1998008817-A1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT1A LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-05 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 (1 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-20070117788-A1 Combination of a dopamine D2-receptor agonist and tiotropium or a derivative therof for treating obstructive airways and other inflammatory diseases CHRM2, ADRB2, CHRM3 HTR1A 429/4885SLC6A4 958/4885DRD2 33/4885

“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.