SCHEMBL6329343

SCHEMBL6329343

CCC(CCNC)Oc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.60
SLC6A4 P31645 5/20 0.60
CYP2D6 P10635 4/20 0.60
SLC6A2 P23975 4/20 0.60
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP19A1 P11511 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 4/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.39
KCNH2 Q12809 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALPG P10696 1/20 0.37
POLB P06746 1/20 0.37
S1PR4 O95977 1/20 0.37
GAA P10253 1/20 0.36

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 SCHEMBL6328118 0.99 NOS2 (0.61) NOS2SLC6A4CYP2D6SLC6A2ALDH1A1
SCHEMBL6332310 0.92 NOS2 (0.50) NOS2SLC6A4CYP2D6SLC6A2ALDH1A1
SCHEMBL6338041 0.90 NOS2 (0.48) NOS2SLC6A4CYP2D6SLC6A2ALDH1A1
Oxalic Acid SCHEMBL6328020 0.87 NOS2 (0.46) NOS2SLC6A4CYP2D6SLC6A2ALDH1A1
Fumaric Acid SCHEMBL6332308 0.83 NOS2 (0.50) NOS2SLC6A4CYP2D6SLC6A2ALDH1A1
Fumaric Acid SCHEMBL6332303 0.83 NOS2 (0.50) NOS2SLC6A4CYP2D6SLC6A2ALDH1A1
SCHEMBL6332546 0.82 CYP2D6 (0.41) NOS2SLC6A4CYP2D6SLC6A2ALDH1A1
SCHEMBL6336514 0.80 SLC6A4 (0.70) NOS2SLC6A4CYP2D6SLC6A2ALDH1A1
SCHEMBL6528834 0.80 NOS2 (0.69) NOS2SLC6A4CYP2D6SLC6A2TSHR
Hydrochloric Acid SCHEMBL6327813 0.79 SLC6A4 (0.70) NOS2SLC6A4CYP2D6SLC6A2ALDH1A1

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 2179/4885CYP2D6 59/4885

“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.