SCHEMBL2072920

SCHEMBL2072920

CNCCC(c1ccccc1)n1cc(C#N)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.54
SLC6A4 P31645 12/20 0.54
IMPDH2 P12268 1/20 0.48
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
CYP2D6 P10635 2/20 0.41
NOS2 P35228 2/20 0.41
KCNH2 Q12809 1/20 0.41
STAT3 P40763 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL2075096 0.85 SLC6A2 (0.62) SLC6A2SLC6A4HTR2AHRH1CYP2D6
SCHEMBL2072616 0.82 SLC6A2 (0.49) SLC6A2SLC6A4CYP2D6NOS2KCNH2
SCHEMBL2074800 0.82 SLC6A2 (0.59) SLC6A2SLC6A4HTR2AHRH1
SCHEMBL2073862 0.81 SLC6A2 (0.58) SLC6A2SLC6A4HTR2AHRH1
SCHEMBL2073553 0.80 SLC6A2 (0.49) SLC6A2SLC6A4CYP2D6NOS2KCNH2
SCHEMBL2075113 0.76 SLC6A2 (0.52) SLC6A2SLC6A4
SCHEMBL13870877 0.76 SLC6A2 (0.70) SLC6A2SLC6A4
SCHEMBL4077479 0.76 SLC6A2 (0.70) SLC6A2SLC6A4
SCHEMBL2073852 0.75 SLC6A2 (0.51) SLC6A2SLC6A4MEN1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL4077217 0.75 SLC6A2 (0.69) SLC6A2SLC6A4

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 14/4885IMPDH2 1060/4885

“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.