SCHEMBL8550773

SCHEMBL8550773

O=Cc1c(F)cccc1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.55
DRD2 P14416 6/20 0.55
DRD3 P35462 6/20 0.55
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 1/20 0.54
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 2/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SIGMAR1 Q99720 1/20 0.49
HTR6 P50406 1/20 0.48

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
SCHEMBL7426690 0.85 DRD4 (0.68) DRD4DRD2DRD3ALDH1A1KDM4E
SCHEMBL13568797 0.82 ALDH1A1 (0.71) DRD4DRD2DRD3ALDH1A1KDM4E
SCHEMBL418557 0.79 DRD4 (0.57) DRD4DRD2DRD3ALDH1A1TDP1
SCHEMBL1537856 0.78 KDM4E (0.55) DRD4DRD2DRD3ALDH1A1KDM4E
SCHEMBL18699541 0.78 DRD2 (0.48) DRD4DRD2DRD3ALDH1A1TDP1
SCHEMBL28327332 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBTSHRMAPT
Ammonia Solution, Strong SCHEMBL27497850 0.77 KDM4E (0.54) DRD4DRD2DRD3ALDH1A1KDM4E
SCHEMBL18699453 0.77 DRD4 (0.47) DRD4DRD2DRD3ALDH1A1TDP1
SCHEMBL1740639 0.77 ALDH1A1 (0.46) DRD4DRD2DRD3ALDH1A1KDM4E
SCHEMBL15937598 0.74 DRD4 (0.67) DRD4DRD2DRD3ALDH1A1KDM4E

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
US-7557098-B2 1-aryl- or 1-alkylsulfonyl-heterocyclylbenzazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-07-07 US disclosed
US-7557098-B2 1-aryl- or 1-alkylsulfonyl-heterocyclylbenzazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-07-07 US disclosed
US-7541370-B2 1-aryl- or 1-alkylsulfonyl-heterocyclylbenzazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-06-02 US disclosed
US-7541370-B2 1-aryl- or 1-alkylsulfonyl-heterocyclylbenzazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-06-02 US disclosed
US-20080200455-A1 1-Aryl- or 1-Alkylsulfonyl-Heterocyclylbenzazoles As 5-Hydroxytryptamine-6 Ligands WYETH (US) 2008-08-21 US disclosed
US-20080200455-A1 1-Aryl- or 1-Alkylsulfonyl-Heterocyclylbenzazoles As 5-Hydroxytryptamine-6 Ligands WYETH (US) 2008-08-21 US disclosed
US-20080064684-A1 Sub-type selective serotonin receptor agonists; antidepressants; schizophrenia, Alzheimer's Disease, Parkinson's Disease; alkylation or amidation of the heterocyclylbenzazole with an alkylhalide or acylhalide WYETH (US) 2008-03-13 US disclosed
US-20080064684-A1 Sub-type selective serotonin receptor agonists; antidepressants; schizophrenia, Alzheimer's Disease, Parkinson's Disease; alkylation or amidation of the heterocyclylbenzazole with an alkylhalide or acylhalide WYETH (US) 2008-03-13 US disclosed
US-7282495-B2 1-aryl- or 1-alkylsulfonyl-heterocyclylbenzazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-16 US disclosed
US-7282495-B2 1-aryl- or 1-alkylsulfonyl-heterocyclylbenzazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-16 US disclosed
EP-0660832-B1 SEROTONIN RECEPTOR AGENTS MERRELL PHARMA INC (US) 1998-01-14 EP disclosed
US-5436246-A Compounds for treatment of anxiety, depression, migraine, stroke, angina and hypertension MERRELL DOW PHARMACEUTICALS INC. 1995-07-25 US disclosed
EP-0660832-A1 SEROTONIN RECEPTOR AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-07-05 EP disclosed
WO-1994006789-A1 SEROTONIN RECEPTOR AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-03-31 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 (2 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-20080064684-A1 Sub-type selective serotonin receptor agonists; antidepressants; schizophrenia, Alzheimer's Disease, Parkinson's Disease; alkylation or amidation of the heterocyclylbenzazole with an alkylhalide or acylhalide HTR6, HTR3B, HTR2B DRD4 47/4885DRD2 29/4885DRD3 88/4885
US-20080200455-A1 1-Aryl- or 1-Alkylsulfonyl-Heterocyclylbenzazoles As 5-Hydroxytryptamine-6 Ligands HTR6, HTR1B, HTR1A DRD4 463/4885DRD2 250/4885DRD3 372/4885

“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.