SCHEMBL6746222

SCHEMBL6746222

N#Cc1ccc(C(F)(F)F)nc1O[C@H](C[C@H](N)CO)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.50
NOS2 P35228 2/20 0.50
GPR119 Q8TDV5 1/20 0.34
CYP3A4 P08684 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
HPGD P15428 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SCN9A Q15858 4/20 0.32
MAPT P10636 1/20 0.31
AR P10275 1/20 0.31
SQOR Q9Y6N5 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
SCHEMBL6186136 0.82 SLC6A4 (0.71) SLC6A4NOS2GPR119CYP3A4AAK1
SCHEMBL2529368 0.71 SLC6A4 (0.54) SLC6A4NOS2GPR119CYP3A4AAK1
SCHEMBL6050234 0.70 NOS2 (0.54) SLC6A4NOS2GPR119SCN9AAR
SCHEMBL25413049 0.70 NOS2 (0.54) SLC6A4NOS2GPR119SCN9AAR
SCHEMBL6050374 0.70 NOS2 (0.54) SLC6A4NOS2GPR119SCN9AAR
SCHEMBL2530684 0.69 SLC6A4 (0.54) SLC6A4NOS2GPR119CYP3A4AAK1
SCHEMBL2526163 0.69 SLC6A4 (0.52) SLC6A4NOS2GPR119CYP3A4AAK1
SCHEMBL2532120 0.69 CNR1 (0.46) SLC6A4NOS2GPR119KDM4EMEN1
SCHEMBL6898375 0.69 NOS2 (0.50) SLC6A4NOS2CYP3A4KDM4EMEN1
SCHEMBL6050411 0.69 NOS2 (0.50) SLC6A4NOS2CYP3A4KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242871-A1 Novel arylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2004-12-02 US 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 SLC6A4 1815/4885NOS2 6/4885GPR119 322/4885

“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.