SCHEMBL6329941

SCHEMBL6329941

CCC(CCNC)Oc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.50
SLC6A2 P23975 7/20 0.50
CYP2D6 P10635 6/20 0.50
NOS2 P35228 5/20 0.50
HTR2A P28223 6/20 0.44
KCNH2 Q12809 6/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 4/20 0.41
NPC1 O15118 2/20 0.41
CYP2C19 P33261 2/20 0.41
MTOR P42345 2/20 0.41
RAB9A P51151 2/20 0.41
CYP3A4 P08684 2/20 0.41
HTR2C P28335 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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 SCHEMBL6327837 0.99 SLC6A4 (0.51) SLC6A4SLC6A2CYP2D6NOS2HTR2A
SCHEMBL6327859 0.89 SLC6A4 (0.43) SLC6A4SLC6A2CYP2D6NOS2HTR2A
Hydrochloric Acid SCHEMBL6330047 0.88 SLC6A4 (0.43) SLC6A4SLC6A2CYP2D6NOS2HTR2A
SCHEMBL6336514 0.82 SLC6A4 (0.70) SLC6A4SLC6A2CYP2D6NOS2HTR2A
Hydrochloric Acid SCHEMBL6327813 0.81 SLC6A4 (0.70) SLC6A4SLC6A2CYP2D6NOS2HTR2A
SCHEMBL5482917 0.81 MRGPRX4 (0.46) SLC6A4SLC6A2CYP2D6NOS2HTR2A
SCHEMBL5482921 0.81 MRGPRX4 (0.46) SLC6A4SLC6A2CYP2D6NOS2HTR2A
SCHEMBL5482923 0.81 MRGPRX4 (0.46) SLC6A4SLC6A2CYP2D6NOS2HTR2A
SCHEMBL6338307 0.80 MRGPRX4 (0.41) SLC6A3MRGPRX4
Hydrochloric Acid SCHEMBL5478117 0.80 MRGPRX4 (0.45) SLC6A4SLC6A2CYP2D6NOS2HTR2A

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 2179/4885SLC6A2 2434/4885CYP2D6 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.