SCHEMBL3605457

SCHEMBL3605457

CC(C)(C)OC(=O)N1CCCN(CCCN2c3ccccc3N(c3ccccc3)S2(O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
ACKR3 P25106 3/20 0.43
GPR119 Q8TDV5 1/20 0.41
VCP P55072 1/20 0.41
EPHX2 P34913 2/20 0.41
LMNA P02545 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
CCR5 P51681 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
ESRRB O95718 1/20 0.40
ESR1 P03372 1/20 0.40
ESRRA P11474 1/20 0.40
ESRRG P62508 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3600088 0.96 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL3616317 0.94 GPR119 (0.43) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL3605455 0.91 SLC6A2 (0.44) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL4058427 0.90 GPR119 (0.46) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL3600086 0.86 SLC6A2 (0.47) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL3616311 0.85 SLC6A2 (0.45) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL3603769 0.84 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL4063161 0.83 GPR119 (0.52) GPR119
SCHEMBL3608812 0.83 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL4053514 0.83 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3ACKR3

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 CHRM2 988/4885CHRM4 871/4885CHRM1 920/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 CHRM2 988/4885CHRM4 871/4885CHRM1 920/4885

“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.