SCHEMBL6748057

SCHEMBL6748057

CCC[C@@H](C[C@H](N)CO)Oc1cc(Cl)c(F)cc1C#N

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.48
CYP2D6 P10635 6/20 0.48
SLC6A2 P23975 6/20 0.48
SLC6A4 P31645 6/20 0.48
BCL2A1 Q16548 1/20 0.40
S1PR1 P21453 4/20 0.39
MRGPRX4 Q96LA9 1/20 0.33
MET P08581 1/20 0.32
TRPV4 Q9HBA0 5/20 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
SCHEMBL6329422 0.78 SLC6A4 (0.59) NOS2CYP2D6SLC6A2SLC6A4BCL2A1
Hydrochloric Acid SCHEMBL6331922 0.77 SLC6A4 (0.60) NOS2CYP2D6SLC6A2SLC6A4BCL2A1
SCHEMBL6330488 0.75 NOS2 (0.52) NOS2CYP2D6SLC6A2SLC6A4BCL2A1
SCHEMBL6746298 0.75 NOS2 (0.48) NOS2CYP2D6SLC6A2SLC6A4BCL2A1
SCHEMBL6330495 0.74 NOS2 (0.48) NOS2CYP2D6SLC6A2SLC6A4BCL2A1
Hydrochloric Acid SCHEMBL6752544 0.74 NOS2 (0.48) NOS2CYP2D6SLC6A2SLC6A4S1PR1
SCHEMBL6746314 0.74 NOS2 (0.52) NOS2CYP2D6SLC6A2SLC6A4S1PR1
SCHEMBL6746312 0.74 NOS2 (0.52) NOS2CYP2D6SLC6A2SLC6A4S1PR1
SCHEMBL6190024 0.74 SLC6A2 (0.52) NOS2CYP2D6SLC6A2SLC6A4S1PR1
SCHEMBL6187815 0.73 SLC6A2 (0.46) NOS2CYP2D6SLC6A2SLC6A4BCL2A1

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 NOS2 6/4885CYP2D6 48/4885SLC6A2 2580/4885

“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.