SCHEMBL2074142

SCHEMBL2074142

CNCCC(c1ccccc1F)c1c[nH]c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.71
CYP2D6 P10635 1/20 0.71
SLC6A2 P23975 1/20 0.71
KCNH2 Q12809 1/20 0.71
GPR84 Q9NQS5 3/20 0.57
FFAR1 O14842 2/20 0.57
ALDH1A1 P00352 3/20 0.47
HTR2A P28223 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTR1A P08908 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45

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
SCHEMBL2074139 0.84 SLC6A4 (0.71) SLC6A4CYP2D6SLC6A2KCNH2GPR84
SCHEMBL2074218 0.83 SLC6A4 (1.00) SLC6A4CYP2D6SLC6A2KCNH2GPR84
SCHEMBL2072569 0.83 SLC6A4 (0.70) SLC6A4CYP2D6SLC6A2KCNH2GPR84
SCHEMBL27682915 0.79 GPR84 (0.55) SLC6A4CYP2D6SLC6A2KCNH2GPR84
SCHEMBL2075044 0.76 SLC6A4 (0.67) SLC6A4CYP2D6SLC6A2KCNH2GPR84
SCHEMBL2071842 0.76 SLC6A4 (0.67) SLC6A4CYP2D6SLC6A2KCNH2GPR84
SCHEMBL2072650 0.76 SLC6A4 (0.79) SLC6A4CYP2D6SLC6A2KCNH2GPR84
SCHEMBL2073868 0.75 CYP2D6 (0.66) SLC6A4CYP2D6SLC6A2KCNH2GPR84
SCHEMBL2072466 0.75 CYP2D6 (0.65) SLC6A4CYP2D6SLC6A2KCNH2GPR84
SCHEMBL2074801 0.74 SLC6A4 (0.72) SLC6A4CYP2D6SLC6A2KCNH2GPR84

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 SLC6A4 14/4885CYP2D6 67/4885SLC6A2 9/4885

“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.