SCHEMBL4944896

SCHEMBL4944896

CCCCOC(=O)ON1CCC(NCCCN2c3ccccc3N(c3ccccc3F)S2(O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.40
SLC6A3 Q01959 4/20 0.40
SLC6A4 P31645 4/20 0.38
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NCEH1 Q6PIU2 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
HTR7 P34969 1/20 0.31

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
SCHEMBL3611781 0.91 SLC6A2 (0.38) SLC6A2KDM4EKMT2ACHRM2CHRM5
Bicarbonate SCHEMBL4944902 0.83 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4CYP2D6CYP1A2
SCHEMBL4060785 0.80 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4
SCHEMBL4056089 0.77 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4
SCHEMBL4062392 0.76 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4
SCHEMBL4944889 0.75 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL4947134 0.75 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4
Bicarbonate SCHEMBL3611784 0.75 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4KDM4ECHRM3
Bicarbonate SCHEMBL4944891 0.74 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4CYP2D6CYP1A2
SCHEMBL4055434 0.74 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 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 (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 2/4885SLC6A3 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.