SCHEMBL6493593

SCHEMBL6493593

OCCCNCC[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 0.68
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
SLC6A4 P31645 11/20 0.50
SLC6A2 P23975 6/20 0.50
CYP2D6 P10635 4/20 0.50
KCNH2 Q12809 2/20 0.50
KDM4E B2RXH2 1/20 0.43

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 SCHEMBL6491823 0.99 NOS2 (0.67) NOS2ALDH1A1LMNASLC6A4SLC6A2
Hydrochloric Acid SCHEMBL6552982 0.99 NOS2 (0.67) NOS2ALDH1A1LMNASLC6A4SLC6A2
SCHEMBL6577593 0.89 NOS2 (0.63) NOS2ALDH1A1LMNASLC6A4SLC6A2
SCHEMBL6490588 0.85 NOS2 (0.71) NOS2SLC6A4SLC6A2CYP2D6KCNH2
Hydrochloric Acid SCHEMBL6493097 0.85 NOS2 (0.72) NOS2SLC6A4SLC6A2CYP2D6KCNH2
Fumaric Acid SCHEMBL6576539 0.83 NOS2 (0.70) NOS2ALDH1A1LMNASLC6A4SLC6A2
SCHEMBL6492848 0.81 NOS2 (1.00) NOS2LMNASLC6A4SLC6A2CYP2D6
SCHEMBL6492851 0.81 NOS2 (1.00) NOS2LMNASLC6A4SLC6A2CYP2D6
SCHEMBL6575184 0.81 NOS2 (0.69) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL6579339 0.78 NOS2 (0.68) 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 11 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
JP-2003523988-A 2003-08-12 JP claimed
EP-1263711-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP claimed
WO-2001062704-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 WO 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 3/4885ALDH1A1 374/4885LMNA 1993/4885

“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.