SCHEMBL6493267

SCHEMBL6493267

NCCC(Oc1cc(Cl)ccc1Cl)c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.47
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
CYP2D6 P10635 2/20 0.41
CACNA2D1 P54289 3/20 0.39
DRD2 P14416 3/20 0.38
HTR7 P34969 3/20 0.38
HTR6 P50406 3/20 0.38
HTR2A P28223 2/20 0.38
CTSA P10619 4/20 0.37
HTR1A P08908 1/20 0.37
SCN1A P35498 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN8A Q9UQD0 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
SCHEMBL6493257 1.00 NOS2 (0.47) NOS2SLC6A2SLC6A4CYP2D6CACNA2D1
Hydrochloric Acid SCHEMBL6491805 0.99 NOS2 (0.46) NOS2SLC6A2SLC6A4CYP2D6CACNA2D1
Hydrochloric Acid SCHEMBL6491813 0.99 NOS2 (0.46) NOS2SLC6A2SLC6A4CYP2D6CACNA2D1
SCHEMBL6499946 0.85 NOS2 (0.61) NOS2SLC6A2SLC6A4CYP2D6CACNA2D1
Hydrochloric Acid SCHEMBL6493136 0.84 NOS2 (0.60) NOS2SLC6A2SLC6A4CYP2D6CACNA2D1
SCHEMBL6577551 0.78 SLC7A5 (0.41) SLC6A2SLC6A4CACNA2D1HTR2ACTSA
SCHEMBL6576551 0.78 NOS2 (0.54) NOS2SLC6A2SLC6A4CYP2D6CACNA2D1
Hydrochloric Acid SCHEMBL6576519 0.78 NOS2 (0.53) NOS2SLC6A2SLC6A4CYP2D6CACNA2D1
SCHEMBL6493266 0.76 NOS2 (0.39) NOS2CTSA
SCHEMBL6490842 0.75 NOS2 (0.47) NOS2SLC6A2SLC6A4CYP2D6DRD2

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 3 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 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

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 3/4885SLC6A2 1776/4885SLC6A4 2468/4885

“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.