SCHEMBL6329422

SCHEMBL6329422

CCCC(CCNC)Oc1cc(Cl)c(F)cc1C#N

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.59
NOS2 P35228 12/20 0.59
CYP2D6 P10635 11/20 0.59
SLC6A2 P23975 11/20 0.59
KCNH2 Q12809 3/20 0.45
BCL2A1 Q16548 1/20 0.40
HTR2A P28223 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
MET P08581 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32

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 SCHEMBL6331922 0.99 SLC6A4 (0.60) SLC6A4NOS2CYP2D6SLC6A2KCNH2
SCHEMBL6329018 0.92 SLC6A4 (0.70) SLC6A4NOS2CYP2D6SLC6A2KCNH2
Hydrochloric Acid SCHEMBL6328545 0.91 SLC6A4 (0.71) SLC6A4NOS2CYP2D6SLC6A2KCNH2
SCHEMBL6335043 0.83 SLC6A4 (0.84) SLC6A4NOS2CYP2D6SLC6A2KCNH2
Hydrochloric Acid SCHEMBL6332375 0.82 SLC6A4 (0.84) SLC6A4NOS2CYP2D6SLC6A2KCNH2
SCHEMBL6330495 0.82 NOS2 (0.48) SLC6A4NOS2CYP2D6SLC6A2KCNH2
SCHEMBL6332384 0.81 SLC6A4 (0.48) SLC6A4NOS2CYP2D6SLC6A2KCNH2
SCHEMBL6328297 0.80 SLC6A4 (0.50) SLC6A4NOS2CYP2D6SLC6A2KCNH2
Hydrochloric Acid SCHEMBL6332348 0.80 SLC6A4 (0.48) SLC6A4NOS2CYP2D6SLC6A2KCNH2
Hydrochloric Acid SCHEMBL6329012 0.79 SLC6A4 (0.49) SLC6A4NOS2CYP2D6SLC6A2KCNH2

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 SLC6A4 2179/4885NOS2 2/4885CYP2D6 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.