SCHEMBL6492131

SCHEMBL6492131

NCCC(Oc1cc(Cl)ccc1Cl)c1ccno1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 11/20 0.49
SLC6A4 P31645 7/20 0.43
SLC6A2 P23975 5/20 0.43
CYP2D6 P10635 4/20 0.43
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTR7 P34969 5/20 0.37
HTR6 P50406 5/20 0.37
DRD2 P14416 4/20 0.37
HTR2A P28223 4/20 0.37
HTR1A P08908 1/20 0.36
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 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
SCHEMBL6492121 1.00 NOS2 (0.49) NOS2SLC6A4SLC6A2CYP2D6CYP3A4
Oxalic Acid SCHEMBL6494207 0.93 NOS2 (0.49) NOS2SLC6A4SLC6A2CYP2D6CYP3A4
Oxalic Acid SCHEMBL6491718 0.93 NOS2 (0.49) NOS2SLC6A4SLC6A2CYP2D6CYP3A4
SCHEMBL6491319 0.84 NOS2 (0.64) NOS2SLC6A4SLC6A2CYP2D6CYP3A4
Oxalic Acid SCHEMBL6491241 0.79 NOS2 (0.69) NOS2SLC6A4SLC6A2CYP2D6CYP3A4
SCHEMBL6490842 0.77 NOS2 (0.47) NOS2SLC6A4SLC6A2CYP2D6CYP2C9
SCHEMBL6492411 0.75 NOS2 (0.51) NOS2SLC6A4SLC6A2CYP2D6CYP3A4
SCHEMBL6492413 0.75 NOS2 (0.51) NOS2SLC6A4SLC6A2CYP2D6CYP3A4
SCHEMBL6493267 0.74 NOS2 (0.47) NOS2SLC6A4SLC6A2CYP2D6HTR7
SCHEMBL6493257 0.74 NOS2 (0.47) NOS2SLC6A4SLC6A2CYP2D6HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887871-B2 Use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2005-05-03 US claimed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP claimed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 US claimed
US-6887871-B2 Use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2005-05-03 US disclosed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP disclosed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 US disclosed
EP-1263711-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062704-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-20030158185-A1 Novel use of phenylheteroakylamine derivatives NOS1, XDH, NOS2 NOS2 3/4885SLC6A4 2468/4885SLC6A2 1776/4885

“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.