SCHEMBL2073839

SCHEMBL2073839

CN(C)CCC(c1ccccc1)c1c[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.66
SLC6A2 P23975 2/20 0.66
CYP2D6 P10635 2/20 0.66
KCNH2 Q12809 1/20 0.66
GPR84 Q9NQS5 3/20 0.62
FFAR1 O14842 2/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPT P10636 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
USP2 O75604 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HTR2A P28223 4/20 0.57
HRH1 P35367 2/20 0.57
SRC P12931 1/20 0.56
MGAM O43451 2/20 0.53
GAA P10253 2/20 0.53
SI P14410 2/20 0.53

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
SCHEMBL108954 0.83 GPR84 (0.84) SLC6A4SLC6A2CYP2D6KCNH2GPR84
SCHEMBL5186684 0.80 CYP2D6 (0.67) SLC6A4SLC6A2CYP2D6KCNH2GPR84
SCHEMBL2073813 0.80 CYP2D6 (0.67) SLC6A4SLC6A2CYP2D6KCNH2GPR84
SCHEMBL2074393 0.80 SLC6A4 (0.52) SLC6A4SLC6A2CYP2D6KCNH2GPR84
SCHEMBL2074218 0.79 SLC6A4 (1.00) SLC6A4SLC6A2CYP2D6KCNH2GPR84
SCHEMBL2074908 0.78 CYP2D6 (0.77) SLC6A4SLC6A2CYP2D6KCNH2GPR84
SCHEMBL14168804 0.78 GPR84 (0.64) SLC6A4SLC6A2CYP2D6KCNH2GPR84
SCHEMBL7005714 0.77 GPR84 (1.00) SLC6A4SLC6A2CYP2D6KCNH2GPR84
SCHEMBL2074796 0.77 CYP2D6 (0.75) SLC6A4SLC6A2CYP2D6KCNH2GPR84
SCHEMBL23292956 0.77 MGAM (0.64) SLC6A4SLC6A2CYP2D6KCNH2GPR84

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 14/4885SLC6A2 9/4885CYP2D6 67/4885

“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.