SCHEMBL3603770

SCHEMBL3603770

CC(C)(C)OC(=O)N1CCN(CCCN2c3ccccc3N(c3ccc(F)c(F)c3)S2(=O)=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.49
SLC6A3 Q01959 2/20 0.49
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
ACKR3 P25106 3/20 0.40
SLC6A4 P31645 1/20 0.38
ESRRB O95718 1/20 0.38
ESR1 P03372 1/20 0.38
ESRRA P11474 1/20 0.38
ESRRG P62508 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38

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
SCHEMBL3603312 0.95 SLC6A2 (0.51) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL3603769 0.91 CHRM2 (0.41) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL3600086 0.88 SLC6A2 (0.47) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL3603309 0.85 ACKR3 (0.41) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL3605455 0.84 SLC6A2 (0.44) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL4053517 0.84 SLC6A2 (0.48) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL4062477 0.82 SLC6A2 (0.50) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL4058421 0.82 SLC6A2 (0.48) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL4059631 0.82 SLC6A2 (0.51) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL4059344 0.81 SLC6A2 (0.46) SLC6A2SLC6A3CHRM2CHRM4CHRM1

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 2/4885SLC6A3 3/4885CHRM2 988/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885SLC6A3 3/4885CHRM2 988/4885

“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.