SCHEMBL6328103

SCHEMBL6328103

CCCC(CCNC)Sc1cc(Cl)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.41
HTR7 P34969 3/20 0.39
HTR6 P50406 3/20 0.39
DRD2 P14416 2/20 0.39
SLC6A4 P31645 9/20 0.37
CYP2D6 P10635 4/20 0.37
SLC6A2 P23975 4/20 0.37
TAAR1 Q96RJ0 2/20 0.37
TDP1 Q9NUW8 2/20 0.34
HTR2A P28223 2/20 0.33
KCNH2 Q12809 2/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
Hydrochloric Acid SCHEMBL6328113 0.99 NOS2 (0.40) NOS2HTR7HTR6DRD2SLC6A4
SCHEMBL6337571 0.83 NOS2 (0.52) NOS2SLC6A4CYP2D6SLC6A2TAAR1
Hydrochloric Acid SCHEMBL6335737 0.82 NOS2 (0.53) NOS2SLC6A4CYP2D6SLC6A2TAAR1
SCHEMBL6497290 0.75 NOS2 (0.54) NOS2SLC6A4CYP2D6SLC6A2TAAR1
Hydrochloric Acid SCHEMBL6328095 0.73 NOS2 (0.47) NOS2SLC6A4CYP2D6SLC6A2TDP1
SCHEMBL6329889 0.69 NOS2 (0.60) NOS2HTR7HTR6DRD2SLC6A4
Hydrochloric Acid SCHEMBL6327619 0.68 NOS2 (0.59) NOS2HTR7HTR6DRD2SLC6A4
SCHEMBL5481778 0.66 SLC6A4 (0.54) NOS2SLC6A4CYP2D6SLC6A2TDP1
SCHEMBL5481779 0.66 SLC6A4 (0.54) NOS2SLC6A4CYP2D6SLC6A2TDP1
SCHEMBL5481780 0.66 SLC6A4 (0.54) NOS2SLC6A4CYP2D6SLC6A2TDP1

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-6900243-B2 Phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-05-31 US claimed
EP-1263715-B1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-28 EP claimed
US-20030065174-A1 Novel phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-04-03 US claimed
EP-1263715-A1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP claimed
WO-2001062714-A1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 WO claimed
US-6900243-B2 Phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-05-31 US disclosed
EP-1263715-B1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-28 EP disclosed
US-20030065174-A1 Novel phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-04-03 US disclosed
EP-1263715-A1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062714-A1 NOVEL 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-20030065174-A1 Novel phenylheteroalkylamine derivatives OPRK1, NOS2, OPRM1 NOS2 2/4885HTR7 590/4885HTR6 989/4885

“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.