SCHEMBL2073879

SCHEMBL2073879

CNCCC(c1cccnc1)n1ncc2cccc(OC(C)C)c21

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 16/20 0.39
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 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
SCHEMBL2073143 0.90 SLC6A2 (0.39) CACNA2D1SLC6A2SLC6A4
SCHEMBL2072824 0.89 SLC6A2 (0.46) SLC6A2SLC6A4
SCHEMBL2072820 0.89 SLC6A2 (0.46) SLC6A2SLC6A4
SCHEMBL27683046 0.85 MEN1 (0.36) SLC6A2SLC6A4
SCHEMBL2073982 0.78 SLC6A2 (0.47) SLC6A2SLC6A4
SCHEMBL2073984 0.78 SLC6A2 (0.47) SLC6A2SLC6A4
SCHEMBL2074747 0.75 SLC6A4 (0.46) SLC6A2SLC6A4
SCHEMBL2072969 0.75 MAPT (0.40) CACNA2D1SLC6A2SLC6A4
SCHEMBL27682913 0.74 SLC6A2 (0.38) SLC6A2SLC6A4
SCHEMBL2073712 0.73 SLC6A2 (0.47) CACNA2D1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 US disclosed
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 US disclosed
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 US disclosed
EP-1756054-B1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR HOFFMANN LA ROCHE (CH) 2010-03-31 EP disclosed
US-20060025467-A1 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC 2006-02-02 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-20060025467-A1 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors TPH1, HTR1A, HTR3A CACNA2D1 2689/4885SLC6A2 9/4885SLC6A4 14/4885

“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.