SCHEMBL3606091

SCHEMBL3606091

NC1CCN(CCCN2c3ccccc3N(c3ccccc3F)S2(O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.40
SLC6A3 Q01959 5/20 0.40
SLC6A4 P31645 4/20 0.40
SIGMAR1 Q99720 1/20 0.39
HTR1A P08908 3/20 0.38
HTR7 P34969 3/20 0.38
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
HTR6 P50406 2/20 0.38
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 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 SCHEMBL3606848 0.99 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4SIGMAR1HTR1A
SCHEMBL3606924 0.93 SLC6A2 (0.37) SLC6A2SLC6A3SLC6A4HTR1AHTR7
Hydrochloric Acid SCHEMBL3611857 0.92 SLC6A2 (0.36) SLC6A2SLC6A3SLC6A4HTR1AHTR7
SCHEMBL3606086 0.86 SLC6A2 (0.57) SLC6A2SLC6A3SLC6A4HTR1AHTR7
SCHEMBL3604991 0.86 SLC6A2 (0.39) SLC6A2SLC6A4SIGMAR1HTR7DRD2
Hydrochloric Acid SCHEMBL3606845 0.85 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4HTR1AHTR7
Hydrochloric Acid SCHEMBL3610587 0.85 SLC6A2 (0.38) SLC6A2SLC6A4SIGMAR1HTR7DRD2
SCHEMBL3611833 0.83 CHRM1 (0.47) SLC6A2SLC6A3SIGMAR1DRD2HTR2A
SCHEMBL4057466 0.80 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4HTR2A
SCHEMBL3606921 0.79 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4

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

“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.