SCHEMBL2072616

SCHEMBL2072616

CNCCC(c1ccccc1)n1cc(C#N)c2c(Cl)cccc21

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 0.49
SLC6A4 P31645 18/20 0.49
CYP2D6 P10635 3/20 0.43
NOS2 P35228 3/20 0.43
KCNH2 Q12809 2/20 0.43

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
SCHEMBL2073553 0.91 SLC6A2 (0.49) SLC6A2SLC6A4CYP2D6NOS2KCNH2
SCHEMBL2072920 0.82 SLC6A2 (0.54) SLC6A2SLC6A4CYP2D6NOS2KCNH2
SCHEMBL2072635 0.79 SLC6A2 (0.48) SLC6A2SLC6A4
SCHEMBL12933720 0.77 SLC6A2 (0.43) SLC6A2SLC6A4CYP2D6NOS2KCNH2
SCHEMBL2073862 0.76 SLC6A2 (0.58) SLC6A2SLC6A4
SCHEMBL2075096 0.76 SLC6A2 (0.62) SLC6A2SLC6A4CYP2D6NOS2KCNH2
SCHEMBL2072658 0.74 SLC6A2 (0.66) SLC6A2SLC6A4
SCHEMBL2073944 0.74 SLC6A2 (0.66) SLC6A2SLC6A4
SCHEMBL2074072 0.74 SLC6A2 (0.66) SLC6A2SLC6A4
SCHEMBL2073411 0.71 SLC6A4 (0.62) SLC6A2SLC6A4CYP2D6NOS2KCNH2

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 3 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
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 SLC6A2 9/4885SLC6A4 14/4885CYP2D6 67/4885

“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.