SCHEMBL6186902

SCHEMBL6186902

Cc1ccc(C#N)c(SC(C[C@H](N)CO)c2ccon2)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
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAPT P10636 7/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL6188443 0.81 CYP2D6 (0.68) CYP2D6SLC6A2SLC6A4NOS2L3MBTL1
SCHEMBL6750063 0.81 CYP2D6 (0.68) CYP2D6SLC6A2SLC6A4NOS2L3MBTL1
SCHEMBL6188903 0.80 SLC6A4 (0.47) CYP2D6SLC6A2SLC6A4NOS2L3MBTL1
Hydrochloric Acid SCHEMBL6751148 0.80 CYP2D6 (0.67) CYP2D6SLC6A2SLC6A4NOS2L3MBTL1
SCHEMBL6746201 0.77 CYP2D6 (0.47) CYP2D6SLC6A2SLC6A4NOS2L3MBTL1
SCHEMBL6186905 0.74 CYP2D6 (0.40) CYP2D6SLC6A2SLC6A4NOS2L3MBTL1
SCHEMBL6746301 0.73 CYP2D6 (0.47) CYP2D6SLC6A2SLC6A4NOS2L3MBTL1
SCHEMBL6751298 0.73 CYP2D6 (0.40) CYP2D6SLC6A2SLC6A4NOS2L3MBTL1
SCHEMBL6750070 0.71 CYP2D6 (0.40) CYP2D6SLC6A2SLC6A4NOS2TDP1
SCHEMBL6751285 0.70 CYP2D6 (0.51) CYP2D6SLC6A2SLC6A4NOS2L3MBTL1

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 6 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
EP-1572655-A2 NOVEL ARYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2005-09-14 EP disclosed
US-20040242871-A1 Novel arylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2004-12-02 US disclosed
WO-2002090332-A2 NOVEL AEYLHETEROALKYLAMINΕ DERIVATIVES ASTRAZENECA AB (SE) 2002-11-14 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-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.