SCHEMBL3608796

SCHEMBL3608796

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.53
SLC6A4 P31645 5/20 0.47
SLC6A3 Q01959 5/20 0.47
KCNH2 Q12809 2/20 0.46
CHRM1 P11229 3/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
ADRA1D P25100 1/20 0.45
ALDH1A1 P00352 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
DRD2 P14416 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
MCHR1 Q99705 1/20 0.43

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
SCHEMBL3608801 0.89 CHRM1 (0.45) SLC6A2KCNH2CHRM1ADRA1AADRA1B
SCHEMBL3611828 0.89 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3CHRM1ADRA1A
SCHEMBL3604993 0.83 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL3610583 0.82 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2
Bicarbonate SCHEMBL3611777 0.82 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3611833 0.80 CHRM1 (0.47) SLC6A2SLC6A3KCNH2CHRM1ADRA1A
SCHEMBL3609956 0.80 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL3615885 0.79 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3606026 0.78 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4057203 0.78 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2

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 5 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 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 1/4885SLC6A3 3/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885SLC6A4 1/4885SLC6A3 3/4885

“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.