SCHEMBL2073396

SCHEMBL2073396

CNCCC(c1ccccc1)N1CCc2c(OC)cccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.47
SLC6A4 P31645 10/20 0.47
CYP1A2 P05177 4/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2D6 P10635 4/20 0.47
TSHR P16473 3/20 0.47
SLC6A3 Q01959 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2C19 P33261 1/20 0.47
PMP22 Q01453 2/20 0.46
NOTUM Q6P988 1/20 0.41
HTR2A P28223 3/20 0.39
HRH1 P35367 3/20 0.39
GAA P10253 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM1 P11229 2/20 0.39
ADRA2B P18089 2/20 0.39
HTR2C P28335 2/20 0.39
OPRM1 P35372 2/20 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
SCHEMBL7001566 0.86 NOTUM (0.46) SLC6A2SLC6A4CYP2D6SLC6A3KMT2A
SCHEMBL2073882 0.83 SLC6A2 (0.46) SLC6A2SLC6A4NOTUMHTR2AHRH1
SCHEMBL20680819 0.82 L3MBTL1 (0.45) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL2074265 0.81 SLC6A2 (0.47) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL2074192 0.79 SLC6A2 (0.57) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL20680868 0.74 SLC6A2 (0.43) SLC6A2SLC6A4HTR2AHRH1
SCHEMBL6999610 0.73 NOTUM (0.45) NOTUMHTR1AHTR2CDRD3HTR2B
SCHEMBL7002593 0.73 SLC6A2 (0.48) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL27010071 0.72 NOTUM (0.55) CYP2C19NOTUMHTR2CDRD3HTR2B
SCHEMBL2071536 0.69 SLC6A2 (0.63) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6

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 6 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
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 14/4885CYP1A2 78/4885

“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.