SCHEMBL3604991

SCHEMBL3604991

NC1CCN(CCCN2c3ccccc3N(c3ccccc3)S2(O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 2/20 0.39
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2D6 P10635 1/20 0.36
KDM1A O60341 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR7 P34969 2/20 0.35
DRD3 P35462 2/20 0.35
KCNH2 Q12809 1/20 0.35
DRD2 P14416 1/20 0.35
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35

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 SCHEMBL3610587 0.99 SLC6A2 (0.38) SLC6A2SLC6A4HRH2HRH1HRH3
SCHEMBL3603035 0.93 SLC6A2 (0.38) SLC6A2SLC6A4SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL3603335 0.91 SLC6A2 (0.38) SLC6A2SLC6A4CHRM2CHRM4CHRM1
SCHEMBL3606091 0.86 SLC6A2 (0.40) SLC6A2SLC6A4CHRM2CHRM4CHRM1
SCHEMBL3604993 0.85 SLC6A2 (0.51) SLC6A2SLC6A4KCNH2
Hydrochloric Acid SCHEMBL3606848 0.85 SLC6A2 (0.40) SLC6A2SLC6A4CHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL3610583 0.84 SLC6A2 (0.50) SLC6A2SLC6A4KCNH2
SCHEMBL3608801 0.83 CHRM1 (0.45) SLC6A2HRH1CHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL4565603 0.80 SLC6A2 (0.34) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3611552 0.79 SLC6A2 (0.36) SLC6A2SLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2010-02-04 US claimed
US-7601722-B2 Aryl sulfamide derivatives and methods of their use WYETH (US) 2009-10-13 US claimed
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP claimed
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-10 US claimed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO claimed
US-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2010-02-04 US disclosed
US-7601722-B2 Aryl sulfamide derivatives and methods of their use WYETH (US) 2009-10-13 US disclosed
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-10 US disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 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-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885SLC6A4 1/4885HRH2 672/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885SLC6A4 1/4885HRH2 672/4885

“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.