SCHEMBL6329889

SCHEMBL6329889

CCCC(CCNC)Oc1cc(Cl)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.60
SLC6A4 P31645 12/20 0.57
SLC6A2 P23975 5/20 0.57
CYP2D6 P10635 4/20 0.57
KCNH2 Q12809 4/20 0.43
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HTR2A P28223 4/20 0.39
DRD2 P14416 2/20 0.39
HTR7 P34969 2/20 0.39
HTR6 P50406 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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 SCHEMBL6327619 0.99 NOS2 (0.59) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6328052 0.92 NOS2 (0.57) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6336514 0.90 SLC6A4 (0.70) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL5481780 0.89 SLC6A4 (0.54) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL5481778 0.89 SLC6A4 (0.54) NOS2SLC6A4SLC6A2CYP2D6KCNH2
Hydrochloric Acid SCHEMBL6327813 0.89 SLC6A4 (0.70) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL5481779 0.89 SLC6A4 (0.54) NOS2SLC6A4SLC6A2CYP2D6KCNH2
Hydrochloric Acid SCHEMBL5478084 0.87 SLC6A4 (0.55) NOS2SLC6A4SLC6A2CYP2D6KCNH2
Hydrochloric Acid SCHEMBL5478089 0.87 SLC6A4 (0.55) NOS2SLC6A4SLC6A2CYP2D6KCNH2
Hydrochloric Acid SCHEMBL5478091 0.87 SLC6A4 (0.55) NOS2SLC6A4SLC6A2CYP2D6KCNH2

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 2/4885SLC6A4 2179/4885SLC6A2 2434/4885

“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.