SCHEMBL6495507

SCHEMBL6495507

NCCC(Sc1cc(Cl)ccc1Cl)c1ncco1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
NOS2 P35228 2/20 0.41
HTR7 P34969 4/20 0.36
HTR6 P50406 4/20 0.36
DRD2 P14416 3/20 0.36
HTR2A P28223 2/20 0.35
KCNA5 P22460 1/20 0.31
CTSA P10619 1/20 0.31
FERMT2 Q96AC1 1/20 0.30

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
Oxalic Acid SCHEMBL6495070 0.93 CYP2D6 (0.41) CYP2D6SLC6A2SLC6A4NOS2HTR7
SCHEMBL6495511 0.75 CYP1A2 (0.33) CYP2D6CTSA
SCHEMBL6496091 0.75 CYP2D6 (0.41) CYP2D6SLC6A2SLC6A4NOS2HTR7
Hydrochloric Acid SCHEMBL6502132 0.74 CYP2D6 (0.40) CYP2D6SLC6A2SLC6A4NOS2HTR7
SCHEMBL6490842 0.72 NOS2 (0.47) CYP2D6SLC6A2SLC6A4NOS2HTR7
Oxalic Acid SCHEMBL6497943 0.68 NOS2 (0.47) CYP2D6SLC6A2SLC6A4NOS2CTSA
SCHEMBL6495073 0.67 CTSA (0.35) CTSA
SCHEMBL6490849 0.66 NOS2 (0.39) NOS2HTR2ACTSA
SCHEMBL5651711 0.64 NOS2 (0.54) CYP2D6SLC6A2SLC6A4NOS2HTR7
SCHEMBL6501546 0.64 NOS2 (0.61) CYP2D6SLC6A2SLC6A4NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953797-B2 Use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-10-11 US claimed
EP-1263718-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-28 EP claimed
US-20030073685-A1 Novel use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-04-17 US claimed
EP-1263718-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP claimed
WO-2001062721-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 WO claimed
US-6953797-B2 Use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-10-11 US disclosed
EP-1263718-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-28 EP disclosed
US-20030073685-A1 Novel use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-04-17 US disclosed
EP-1263718-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062721-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 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-20030073685-A1 Novel use of phenylheteroalkylamine derivatives CYP1A1, CYP1A2, CYP2E1 CYP2D6 38/4885SLC6A2 1769/4885SLC6A4 1977/4885

“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.