SCHEMBL4779943

SCHEMBL4779943

O=S(=O)(c1cccc2c(Cl)nccc12)N1CCC(NCc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.50
DHCR7 Q9UBM7 1/20 0.50
FABP6 P51161 1/20 0.48
MAPK1 P28482 2/20 0.48
CHRM1 P11229 1/20 0.46
ACHE P22303 5/20 0.44
BACE1 P56817 5/20 0.44
BCHE P06276 4/20 0.44
NSD2 O96028 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPY5R Q15761 1/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL4732315 0.88 MAPK1 (0.50) EBPDHCR7FABP6MAPK1ACHE
SCHEMBL5086408 0.83 CHRM1 (0.50) MAPK1CHRM1SMN1; SMN2MEN1KMT2A
SCHEMBL4725455 0.80 ROCK2 (0.60) EBPDHCR7FABP6MAPK1OPRK1
SCHEMBL7318271 0.79 CHRM1 (0.55) MAPK1CHRM1SMN1; SMN2MEN1KMT2A
SCHEMBL4727809 0.79 CHRM1 (0.51) CHRM1SMN1; SMN2HTR1ADRD2HTR2A
SCHEMBL4727540 0.77 FABP6 (0.47) FABP6MAPK1OPRM1OPRK1SMN1; SMN2
SCHEMBL7312944 0.75 CHRM1 (0.53) MAPK1CHRM1SMN1; SMN2MEN1KMT2A
SCHEMBL7352432 0.75 CHRM1 (0.56) MAPK1CHRM1SMN1; SMN2MEN1KMT2A
SCHEMBL4730348 0.75 CHRM1 (0.53) MAPK1CHRM1SMN1; SMN2MEN1KMT2A
SCHEMBL4726186 0.75 CHRM1 (0.47) MAPK1CHRM1SMN1; SMN2HTTMEN1

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
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
US-4798897-A (AMINOALKYL)AMINOSULFONYL-SUBSTITUTED CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1989-01-17 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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN EBP 799/4885DHCR7 1557/4885FABP6 2489/4885

“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.