SCHEMBL3608801

SCHEMBL3608801

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 11/20 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
KCNH2 Q12809 1/20 0.43
MCHR1 Q99705 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
POLB P06746 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL3608796 0.89 SLC6A2 (0.53) CHRM1ADRA1AADRA1BADRA1DALDH1A1
SCHEMBL3611833 0.89 CHRM1 (0.47) CHRM1ADRA1AADRA1BADRA1DALDH1A1
SCHEMBL3604991 0.83 SLC6A2 (0.39) CHRM1CHRM2CHRM4DRD2HRH1
Hydrochloric Acid SCHEMBL3610587 0.82 SLC6A2 (0.38) CHRM1CHRM2CHRM4CHRM5DRD2
Bicarbonate SCHEMBL3611784 0.82 SLC6A2 (0.41) ADRA1AADRA1BADRA1DALDH1A1CHRM3
SCHEMBL3611828 0.80 SLC6A2 (0.54) CHRM1ADRA1AADRA1BADRA1DSIGMAR1
SCHEMBL3609958 0.80 SLC6A2 (0.41) KCNH2SIGMAR1CARM1PRMT6SLC6A2
Hydrochloric Acid SCHEMBL3615887 0.79 SLC6A2 (0.40) KCNH2SIGMAR1CARM1PRMT6SLC6A2
SCHEMBL3603035 0.76 SLC6A2 (0.38) KCNH2SIGMAR1SLC6A2
SCHEMBL4057553 0.76 SLC6A2 (0.51) ALDH1A1KCNH2SIGMAR1SLC6A2

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 CHRM1 920/4885ADRA1A 93/4885ADRA1B 130/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 CHRM1 920/4885ADRA1A 93/4885ADRA1B 130/4885

“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.