SCHEMBL2069104

SCHEMBL2069104

CNCCC(c1ccccc1)n1ncc2cc(C#N)ccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.44
SLC6A4 P31645 12/20 0.44
HDAC8 Q9BY41 1/20 0.43
GCGR P47871 2/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
SLC6A3 Q01959 1/20 0.37
TNKS O95271 2/20 0.37

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
SCHEMBL2075105 0.91 SLC6A2 (0.44) SLC6A2SLC6A4HDAC8HTR2AHRH1
SCHEMBL2074789 0.83 HDAC8 (0.48) SLC6A2SLC6A4HDAC8GCGRHTR2A
SCHEMBL2072547 0.82 SLC6A2 (0.59) SLC6A2SLC6A4HTR2AHRH1SLC6A3
SCHEMBL12933717 0.81 SLC6A2 (0.44) SLC6A2SLC6A4HDAC8GCGRHTR2A
SCHEMBL2073811 0.81 SLC6A2 (0.44) SLC6A2SLC6A4GCGRHTR2AHRH1
SCHEMBL2073824 0.80 SLC6A2 (0.67) SLC6A2SLC6A4HTR2AHRH1
SCHEMBL2071320 0.76 SLC6A2 (0.44) SLC6A2SLC6A4HTR2AHRH1
SCHEMBL2071162 0.76 KMO (0.49) SLC6A2SLC6A4HTR2AHRH1SLC6A3
SCHEMBL12933718 0.76 SLC6A2 (0.44) SLC6A2SLC6A4HTR2AHRH1SLC6A3
SCHEMBL2074283 0.76 SLC6A2 (0.41) SLC6A2SLC6A4HTR2AHRH1SLC6A3

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 4 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
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 14/4885HDAC8 1240/4885

“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.