SCHEMBL19828166

SCHEMBL19828166

Cc1ccc2c(c1)[C@H](N)COC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.36
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HTR1A P08908 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ACHE P22303 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
GAA P10253 1/20 0.31
HTR2A P28223 1/20 0.31
TRPM5 Q9NZQ8 1/20 0.31
HTR5A P47898 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL19827797 1.00 AADAT (0.36) AADATSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL19829930 1.00 AADAT (0.36) AADATSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL19827799 0.86 AADAT (0.36) AADATSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL19817075 0.83 AADAT (0.35) AADATSLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL19829944 0.83 AADAT (0.35) AADATSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL19827789 0.83 AADAT (0.35) AADATSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL19829943 0.83 AADAT (0.35) AADATSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL19828116 0.81 HTR2C (0.33) AADATSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL19828117 0.81 HTR2C (0.33) AADATSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL19827822 0.81 HTR2C (0.33) AADATSLC6A2SLC6A4SLC6A3KDM4E

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
WO-2018023070-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF SUNOVION PHARMACEUTICALS, INC. (US) 2018-02-01 WO disclosed
US-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF PGI DRUG DISCOVERY LLC 2018-02-01 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-20180028492-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF ACHE, CHAT, MAOB AADAT 144/4885SLC6A2 66/4885SLC6A4 204/4885

“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.