SCHEMBL3594833

SCHEMBL3594833

Cc1ccccc1N1c2ccccc2N(CCN2CCN(C(=O)OC(C)(C)C)CC2)S1(O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
TERT O14746 1/20 0.43
ACKR3 P25106 3/20 0.42
GRM5 P41594 1/20 0.40
GRM1 Q13255 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ABCB1 P08183 1/20 0.38
DTYMK P23919 1/20 0.38
DRD2 P14416 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
EPHX2 P34913 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
SCHEMBL3594835 0.90 SLC6A2 (0.46) CHRM2CHRM4CHRM1CHRM3TERT
SCHEMBL3598964 0.89 THRB (0.44) CHRM2CHRM4CHRM1CHRM3TERT
SCHEMBL4062472 0.89 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3TERT
SCHEMBL4058427 0.88 GPR119 (0.46) CHRM2CHRM4CHRM1CHRM3TERT
SCHEMBL4056542 0.86 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3TERT
SCHEMBL3598862 0.85 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3TERT
SCHEMBL3608812 0.85 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3TERT
SCHEMBL4053514 0.85 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3TERT
SCHEMBL4056334 0.85 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3TERT
SCHEMBL3616317 0.85 GPR119 (0.43) CHRM2CHRM4CHRM1CHRM3TERT

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.