SCHEMBL5617439

SCHEMBL5617439

O=S(=O)(CCCN1CCN(c2cccc(Cl)c2)CC1)N1CCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.61
DRD4 P21917 2/20 0.61
DRD3 P35462 2/20 0.61
KCNH2 Q12809 2/20 0.57
SIGMAR1 Q99720 2/20 0.54
HTR1A P08908 3/20 0.52
HTR2A P28223 2/20 0.52
HTR7 P34969 2/20 0.52
HTR6 P50406 2/20 0.52
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 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
SCHEMBL5617322 0.89 DRD2 (0.57) DRD2DRD4DRD3KCNH2SIGMAR1
SCHEMBL5617297 0.86 DRD3 (0.62) DRD2DRD3SIGMAR1HTR1AHTR2A
SCHEMBL5617240 0.85 DRD3 (0.56) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL5656309 0.81 KCNH2 (0.67) DRD2DRD4DRD3KCNH2SIGMAR1
SCHEMBL5617278 0.80 HSD17B10 (0.49) DRD2SIGMAR1HTR1AHTR2AHTR7
SCHEMBL5617441 0.80 DRD3 (0.57) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL9483832 0.78 KCNH2 (0.74) DRD2DRD4KCNH2SIGMAR1HTR1A
SCHEMBL5617429 0.77 DRD2 (0.59) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL5657775 0.77 DRD2 (0.62) DRD2DRD4DRD3KCNH2SIGMAR1
SCHEMBL30767216 0.76 KCNH2 (0.90) DRD2KCNH2SIGMAR1HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060704-B2 Serotonergic 5HT7 receptor compounds for treating ocular and CNS disorders ALCON MANUFACTURING, LTD. (US) 2006-06-13 US claimed
US-20050187214-A1 Serotonergic 5HT7 receptor compounds for treating ocular and CNS disorders ALCON RESEARCH, LTD. 2005-08-25 US claimed
EP-1079763-A2 SEROTONERGIC 5HT 7? RECEPTOR COMPOUNDS FOR TREATING OCULAR AND CNS DISORDERS ALCON LABORATORIES, INC. (US) 2001-03-07 EP claimed
WO-1999059499-A2 SEROTONERGIC 5HT7 RECEPTOR COMPOUNDS FOR TREATING OCULAR AND CNS DISORDERS ALCON LABORATORIES, INC. (US) 1999-11-25 WO claimed
US-7285553-B2 Serotonergic 5HT7 receptor compounds for treating ocular and CNS disorders ALCON MANUFACTURING, LTD. (US) 2007-10-23 US disclosed
US-7060704-B2 Serotonergic 5HT7 receptor compounds for treating ocular and CNS disorders ALCON MANUFACTURING, LTD. (US) 2006-06-13 US disclosed
US-20060052372-A1 Serotonergic 5HT7 receptor compounds for treating ocular and CNS disorders ALCON RESEARCH, LTD. 2006-03-09 US disclosed
US-6960579-B1 Serotonergic 5HT7 receptor compounds for treating ocular and CNS disorders ALCON MANUFACTURING, LTD. (US) 2005-11-01 US disclosed
US-20050187214-A1 Serotonergic 5HT7 receptor compounds for treating ocular and CNS disorders ALCON RESEARCH, LTD. 2005-08-25 US disclosed
EP-1079763-A2 SEROTONERGIC 5HT 7? RECEPTOR COMPOUNDS FOR TREATING OCULAR AND CNS DISORDERS ALCON LABORATORIES, INC. (US) 2001-03-07 EP disclosed
WO-1999059499-A2 SEROTONERGIC 5HT7 RECEPTOR COMPOUNDS FOR TREATING OCULAR AND CNS DISORDERS ALCON LABORATORIES, INC. (US) 1999-11-25 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-20060052372-A1 Serotonergic 5HT7 receptor compounds for treating ocular and CNS disorders HTR7, HTR1A, HTR2B DRD2 31/4885DRD4 30/4885DRD3 52/4885
US-20050187214-A1 Serotonergic 5HT7 receptor compounds for treating ocular and CNS disorders HTR7, HTR1A, HTR2B DRD2 31/4885DRD4 30/4885DRD3 52/4885

“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.