SCHEMBL6190024

SCHEMBL6190024

N#Cc1cc(F)c(Cl)cc1O[C@H](C[C@H](N)CO)c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.52
SLC6A4 P31645 11/20 0.52
NOS2 P35228 7/20 0.52
CYP2D6 P10635 5/20 0.52
S1PR1 P21453 3/20 0.36
SLC6A3 Q01959 5/20 0.36
MRGPRX4 Q96LA9 1/20 0.34
CACNA2D1 P54289 2/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KCNH2 Q12809 1/20 0.31

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
SCHEMBL6746298 0.83 NOS2 (0.48) SLC6A2SLC6A4NOS2CYP2D6S1PR1
Hydrochloric Acid SCHEMBL6752544 0.82 NOS2 (0.48) SLC6A2SLC6A4NOS2CYP2D6S1PR1
SCHEMBL6746314 0.82 NOS2 (0.52) SLC6A2SLC6A4NOS2CYP2D6S1PR1
SCHEMBL6746312 0.82 NOS2 (0.52) SLC6A2SLC6A4NOS2CYP2D6S1PR1
SCHEMBL6187815 0.81 SLC6A2 (0.46) SLC6A2SLC6A4NOS2CYP2D6S1PR1
SCHEMBL6746335 0.79 NOS2 (0.46) SLC6A2SLC6A4NOS2CYP2D6S1PR1
SCHEMBL6748032 0.78 NOS2 (0.55) SLC6A2SLC6A4NOS2CYP2D6S1PR1
Hydrochloric Acid SCHEMBL6855347 0.78 NOS2 (0.54) SLC6A2SLC6A4NOS2CYP2D6S1PR1
Hydrochloric Acid SCHEMBL6855357 0.78 NOS2 (0.54) SLC6A2SLC6A4NOS2CYP2D6S1PR1
SCHEMBL6748057 0.74 NOS2 (0.48) SLC6A2SLC6A4NOS2CYP2D6S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572655-A2 NOVEL ARYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2005-09-14 EP claimed
US-20040242871-A1 Novel arylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2004-12-02 US claimed
WO-2002090332-A2 NOVEL AEYLHETEROALKYLAMINΕ DERIVATIVES ASTRAZENECA AB (SE) 2002-11-14 WO claimed
US-20040242871-A1 Novel arylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2004-12-02 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-20040242871-A1 Novel arylheteroalkylamine derivatives CYP1A1, NOS3, NOS1 SLC6A2 2580/4885SLC6A4 1815/4885NOS2 6/4885

“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.