SCHEMBL2074789

SCHEMBL2074789

CNCCC(c1ccccc1)n1ncc2cc(Cl)ccc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.48
SLC6A4 P31645 13/20 0.46
SLC6A2 P23975 11/20 0.46
NOS2 P35228 2/20 0.44
GCGR P47871 2/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 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
SCHEMBL2071162 0.91 KMO (0.49) SLC6A4SLC6A2NOS2HTR2AHRH1
SCHEMBL2072547 0.85 SLC6A2 (0.59) SLC6A4SLC6A2HTR2AHRH1
SCHEMBL2073811 0.84 SLC6A2 (0.44) SLC6A4SLC6A2NOS2GCGRHTR2A
SCHEMBL12933717 0.84 SLC6A2 (0.44) HDAC8SLC6A4SLC6A2GCGRHTR2A
SCHEMBL2069104 0.83 SLC6A2 (0.44) HDAC8SLC6A4SLC6A2GCGRHTR2A
SCHEMBL27663360 0.82 HDAC8 (0.51) HDAC8SLC6A4SLC6A2GCGR
SCHEMBL12933718 0.78 SLC6A2 (0.44) SLC6A4SLC6A2HTR2AHRH1
SCHEMBL2073883 0.78 SLC6A4 (0.72) SLC6A4SLC6A2NOS2HTR2AHRH1
SCHEMBL2074929 0.77 SLC6A2 (0.47) SLC6A4SLC6A2HTR2AHRH1
SCHEMBL2075105 0.76 SLC6A2 (0.44) HDAC8SLC6A4SLC6A2NOS2HTR2A

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 HDAC8 1240/4885SLC6A4 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.