SCHEMBL2073882

SCHEMBL2073882

CNCCC(c1ccccc1)N1CCc2c(Cl)cccc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.46
SLC6A4 P31645 13/20 0.46
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
NOTUM Q6P988 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL12963345 0.85 NOTUM (0.40) SLC6A2SLC6A4NOTUMTP53GAA
SCHEMBL2073396 0.83 SLC6A2 (0.47) SLC6A2SLC6A4HTR2AHRH1NOTUM
SCHEMBL27663479 0.81 SLC6A2 (0.43) SLC6A2SLC6A4NOTUMTP53GAA
SCHEMBL2074192 0.81 SLC6A2 (0.57) SLC6A2SLC6A4HTR2AHRH1TP53
SCHEMBL2074127 0.81 SLC6A2 (0.44) SLC6A2SLC6A4HTR2AHRH1NOTUM
SCHEMBL20680868 0.76 SLC6A2 (0.43) SLC6A2SLC6A4HTR2AHRH1
SCHEMBL2632953 0.71 NOTUM (0.53) HTR2ANOTUM
SCHEMBL13180784 0.70 NOTUM (0.49) HTR2ANOTUM
SCHEMBL2074265 0.69 SLC6A2 (0.47) SLC6A2SLC6A4HTR2AHRH1TP53
SCHEMBL3151392 0.68 SLC6A2 (0.59) SLC6A2SLC6A4HTR2AHRH1

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 14/4885HTR2A 17/4885

“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.