SCHEMBL4057002

SCHEMBL4057002

OS1(O)N(CCCNC2CC2)c2ccccc2N1c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.43
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MITF O75030 1/20 0.35
GRIN2B Q13224 1/20 0.35
SLC6A3 Q01959 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
HTR6 P50406 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NR1I2 O75469 2/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL4057553 0.90 SLC6A2 (0.51) SLC6A2GRIN2BSLC6A3ALDH1A1
SCHEMBL4053858 0.87 SLC6A2 (0.50) SLC6A2GRIN2BSLC6A3HTR6ALDH1A1
SCHEMBL4056998 0.86 SLC6A2 (0.55) SLC6A2SLC6A3
SCHEMBL4061668 0.83 SLC6A2 (0.55) SLC6A2MEN1KMT2ASLC6A3DRD3
SCHEMBL4061549 0.83 SLC6A2 (0.44) SLC6A2SLC6A3ALDH1A1
Hydrochloric Acid SCHEMBL4937687 0.82 SLC6A2 (0.43) SLC6A2SLC6A3ALDH1A1
SCHEMBL4060785 0.81 SLC6A2 (0.50) SLC6A2SLC6A3
SCHEMBL4061650 0.81 SLC6A2 (0.45) SLC6A2SLC6A3
SCHEMBL4054996 0.80 SLC6A2 (0.51) SLC6A2SLC6A3
SCHEMBL4057911 0.79 SLC6A2 (0.43) SLC6A2SLC6A3HTR6DRD3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US claimed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO 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 disclosed
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 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 (1 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-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885MEN1 4156/4885KMT2A 1555/4885

“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.