SCHEMBL12539616

SCHEMBL12539616

c1ccc(C2CNCCOC2c2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.72
SLC6A4 P31645 5/20 0.72
SLC6A3 Q01959 4/20 0.72
CYP2D6 P10635 1/20 0.72
KCNH2 Q12809 1/20 0.72
ADRA1A P35348 1/20 0.51
HTR2B P41595 1/20 0.51
DRD2 P14416 2/20 0.45
DRD3 P35462 1/20 0.45
HTR1A P08908 1/20 0.42
KDM1A O60341 2/20 0.41
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
HTR2A P28223 1/20 0.40

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
SCHEMBL12539679 1.00 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL1947311 1.00 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL1943610 1.00 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL1956488 0.98 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL1945058 0.91 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL1945093 0.87 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL20052872 0.85 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL17455406 0.85 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL12574956 0.83 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL1945059 0.82 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136787-A1 DIPHENYL AZEPANE, DIAZEPANE AND OXAZEPANE DERIVATIVES AND USES THEREOF SCHOENFELD RYAN CRAIG 2011-06-09 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-20110136787-A1 DIPHENYL AZEPANE, DIAZEPANE AND OXAZEPANE DERIVATIVES AND USES THEREOF PTGDR2, PTGDR, TBXA2R SLC6A2 2364/4885SLC6A4 2007/4885SLC6A3 1589/4885

“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.