SCHEMBL3608813

SCHEMBL3608813

CC(C)(C)OC(=O)N1CCCN(CCN2c3ccccc3N(c3ccccc3F)S2(=O)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.47
SLC6A3 Q01959 5/20 0.47
SLC6A4 P31645 4/20 0.44
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
ACKR3 P25106 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
MAPT P10636 1/20 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
SCHEMBL4062477 0.96 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4CHRM2CHRM4
SCHEMBL3603719 0.93 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4CHRM2CHRM4
SCHEMBL3599871 0.92 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4TP53ACKR3
SCHEMBL3608812 0.91 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3TP53
SCHEMBL4056547 0.90 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4CHRM2CHRM4
SCHEMBL3612246 0.89 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4CHRM2CHRM4
SCHEMBL3616311 0.89 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4CHRM2CHRM4
SCHEMBL4056335 0.89 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4CHRM2CHRM4
SCHEMBL4059631 0.88 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4CHRM2CHRM4
SCHEMBL3598865 0.87 CHRM2 (0.41) SLC6A2SLC6A3SLC6A4CHRM2CHRM4

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 3 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
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-10 US 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.