SCHEMBL6746201

SCHEMBL6746201

Cc1ccc(C#N)c(S[C@@H](CC(C)C)C[C@H](N)CO)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
NOS2 P35228 2/20 0.47
TDP1 Q9NUW8 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 2/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 9/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 7/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
KDM4E B2RXH2 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL6746301 0.86 CYP2D6 (0.47) CYP2D6SLC6A2SLC6A4NOS2TDP1
SCHEMBL6188443 0.80 CYP2D6 (0.68) CYP2D6SLC6A2SLC6A4NOS2TDP1
SCHEMBL6750063 0.80 CYP2D6 (0.68) CYP2D6SLC6A2SLC6A4NOS2TDP1
Hydrochloric Acid SCHEMBL6751148 0.79 CYP2D6 (0.67) CYP2D6SLC6A2SLC6A4NOS2TDP1
SCHEMBL6188903 0.78 SLC6A4 (0.47) CYP2D6SLC6A2SLC6A4NOS2TDP1
SCHEMBL6186902 0.77 CYP2D6 (0.47) CYP2D6SLC6A2SLC6A4NOS2TDP1
SCHEMBL4011612 0.70 L3MBTL1 (0.51) CYP2D6SLC6A2SLC6A4NOS2TDP1
SCHEMBL6751285 0.69 CYP2D6 (0.51) CYP2D6SLC6A2SLC6A4NOS2TDP1
SCHEMBL6750964 0.69 CYP2D6 (0.69) CYP2D6SLC6A2SLC6A4NOS2TDP1
SCHEMBL6079102 0.68 CYP2D6 (0.49) CYP2D6SLC6A2SLC6A4NOS2TDP1

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 CYP2D6 48/4885SLC6A2 2580/4885SLC6A4 1815/4885

“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.