SCHEMBL5617293

SCHEMBL5617293

CN(c1ccccc1)S(=O)(=O)CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.59
HTR7 P34969 8/20 0.56
DRD3 P35462 4/20 0.53
DRD2 P14416 3/20 0.53
HTR1A P08908 2/20 0.53
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
HTR6 P50406 2/20 0.53
DRD5 P21918 2/20 0.52
DRD1 P21728 1/20 0.51

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
SCHEMBL5617456 0.86 KCNH2 (0.55) SIGMAR1HTR7DRD2
SCHEMBL11465528 0.78 SIGMAR1 (0.76) SIGMAR1HTR7DRD3DRD2HTR1A
SCHEMBL5617444 0.76 HTR7 (0.49) SIGMAR1HTR7HTR1AHTR6
SCHEMBL13875120 0.76 SIGMAR1 (0.69) SIGMAR1HTR7DRD3DRD2HTR1A
SCHEMBL11405931 0.76 SIGMAR1 (0.69) SIGMAR1HTR7DRD3DRD2HTR1A
SCHEMBL13875122 0.75 SIGMAR1 (0.71) SIGMAR1HTR7DRD3DRD2HTR1A
SCHEMBL5617282 0.75 KDM4E (0.54) DRD3DRD2HTR1AHTR2ADRD1
SCHEMBL9413482 0.75 HTR7 (0.54) SIGMAR1HTR7HTR1AHTR2AHTR2C
SCHEMBL2114093 0.74 SIGMAR1 (0.67) SIGMAR1HTR7DRD3DRD2HTR2A
SCHEMBL9378627 0.74 SIGMAR1 (1.00) SIGMAR1HTR7DRD3DRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SIGMAR1 270/4885HTR7 1/4885DRD3 52/4885
US-20050187214-A1 Serotonergic 5HT7 receptor compounds for treating ocular and CNS disorders HTR7, HTR1A, HTR2B SIGMAR1 270/4885HTR7 1/4885DRD3 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.