SCHEMBL2073970

SCHEMBL2073970

CNCCC(c1ccccc1)n1ccc2ccc(C#N)cc21

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.67
SLC6A4 P31645 13/20 0.67
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
PRMT5 O14744 1/20 0.39
CDC7 O00311 1/20 0.38
CDK2 P24941 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
SCHEMBL2073824 0.91 SLC6A2 (0.67) SLC6A2SLC6A4HTR2AHRH1PRMT5
SCHEMBL2074199 0.82 SLC6A4 (0.72) SLC6A2SLC6A4HTR2AHRH1
SCHEMBL2074980 0.81 SLC6A2 (1.00) SLC6A2SLC6A4HTR2AHRH1
SCHEMBL2074297 0.80 SLC6A2 (0.69) SLC6A2SLC6A4HTR2AHRH1
SCHEMBL2075105 0.80 SLC6A2 (0.44) SLC6A2SLC6A4HTR2AHRH1
SCHEMBL12933731 0.79 SLC6A2 (0.67) SLC6A2SLC6A4HTR2AHRH1
SCHEMBL2075096 0.75 SLC6A2 (0.62) SLC6A2SLC6A4HTR2AHRH1
SCHEMBL2073411 0.75 SLC6A4 (0.62) SLC6A2SLC6A4HTR2AHRH1
SCHEMBL2069104 0.75 SLC6A2 (0.44) SLC6A2SLC6A4HTR2AHRH1
SCHEMBL2072462 0.75 SLC6A2 (0.41) 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 4 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
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 14/4885KDM4E 899/4885

“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.