SCHEMBL2074103

SCHEMBL2074103

NCCC(c1ccccc1)n1ccc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.67
SLC6A2 P23975 11/20 0.67
HRH1 P35367 2/20 0.44
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
HTR2A P28223 1/20 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
SCHEMBL2072429 0.84 SLC6A4 (0.67) SLC6A4SLC6A2
SCHEMBL2073887 0.84 SLC6A4 (0.67) SLC6A4SLC6A2CDK4CCND1
SCHEMBL13678888 0.83 SLC6A2 (0.53) SLC6A4SLC6A2HRH1
SCHEMBL2074980 0.80 SLC6A2 (1.00) SLC6A4SLC6A2HRH1HTR2A
SCHEMBL10643068 0.77 SLC6A4 (0.55) SLC6A4SLC6A2
SCHEMBL31115051 0.75 SLC6A4 (0.56) SLC6A4SLC6A2CDK4CCND1
SCHEMBL2886772 0.73 SLC6A4 (0.54) SLC6A4SLC6A2CDK4CCND1
Hydrochloric Acid SCHEMBL3977698 0.73 SLC6A2 (0.49) SLC6A4SLC6A2
SCHEMBL9195174 0.73 SLC6A2 (1.00) SLC6A4SLC6A2
SCHEMBL27668196 0.73 SLC6A2 (0.52) SLC6A4SLC6A2

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 SLC6A4 14/4885SLC6A2 9/4885HRH1 226/4885

“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.