SCHEMBL2073798

SCHEMBL2073798

CNCCC(c1ccccc1)n1cc2ccc(Cl)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.44
SLC6A4 P31645 14/20 0.43
SLC6A2 P23975 12/20 0.43
CYP2D6 P10635 2/20 0.40
KCNH2 Q12809 2/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
SLC6A3 Q01959 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL2073007 0.91 HDAC8 (0.48) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL2074891 0.85 SLC6A2 (0.52) SLC6A4SLC6A2HTR2AHRH1SLC6A3
SCHEMBL2073870 0.84 SLC6A4 (0.43) NOS2SLC6A4SLC6A2CYP2D6HTR2A
SCHEMBL12933734 0.84 SLC6A2 (0.42) SLC6A4SLC6A2HTR2AHRH1SLC6A3
SCHEMBL2072462 0.83 SLC6A2 (0.41) NOS2SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL27663373 0.81 TDP1 (0.40) SLC6A4SLC6A2HDAC8
SCHEMBL2075052 0.77 SLC6A4 (0.41) SLC6A4SLC6A2CYP2D6HTR2AHRH1
SCHEMBL2075177 0.77 SLC6A4 (0.47) SLC6A4SLC6A2HTR2AHRH1SLC6A3
SCHEMBL12933735 0.77 SLC6A2 (0.42) SLC6A4SLC6A2HTR2AHRH1SLC6A3
SCHEMBL2073730 0.77 SLC6A4 (0.43) NOS2SLC6A4SLC6A2CYP2D6HTR2A

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 NOS2 1581/4885SLC6A4 14/4885SLC6A2 9/4885

“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.