SCHEMBL2072446

SCHEMBL2072446

CNCC[C@@H](c1ccccc1)n1ncc2c(OC)cccc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 0.47
SLC6A4 P31645 16/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PMP22 Q01453 1/20 0.46

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
SCHEMBL2072449 1.00 SLC6A2 (0.47) SLC6A2SLC6A4MEN1CYP1A2CYP3A4
SCHEMBL2072835 0.91 SLC6A2 (0.43) SLC6A2SLC6A4MEN1CYP1A2CYP3A4
SCHEMBL2072969 0.89 MAPT (0.40) SLC6A2SLC6A4MEN1CYP1A2CYP3A4
SCHEMBL2074929 0.83 SLC6A2 (0.47) SLC6A2SLC6A4
SCHEMBL2073982 0.81 SLC6A2 (0.47) SLC6A2SLC6A4MEN1CYP1A2CYP3A4
SCHEMBL2073984 0.81 SLC6A2 (0.47) SLC6A2SLC6A4MEN1CYP1A2CYP3A4
SCHEMBL2071320 0.81 SLC6A2 (0.44) SLC6A2SLC6A4CYP2D6
SCHEMBL2072547 0.79 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3
SCHEMBL2071536 0.79 SLC6A2 (0.63) SLC6A2SLC6A4MEN1CYP1A2CYP3A4
SCHEMBL2073219 0.77 SLC6A2 (0.48) SLC6A2SLC6A4MEN1CYP1A2CYP3A4

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 SLC6A2 9/4885SLC6A4 14/4885MEN1 2694/4885

“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.