SCHEMBL2074908

SCHEMBL2074908

CC(C)NCCC(c1ccccc1)c1c[nH]c2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.77
SLC6A2 P23975 2/20 0.77
SLC6A4 P31645 2/20 0.77
KCNH2 Q12809 2/20 0.77
GPR84 Q9NQS5 3/20 0.57
FFAR1 O14842 2/20 0.57
MGAM O43451 4/20 0.52
GAA P10253 4/20 0.52
SI P14410 4/20 0.52
MGAM2 Q2M2H8 4/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
ALDH1A1 P00352 3/20 0.50
HTR2B P41595 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
USP2 O75604 1/20 0.50
HTR2A P28223 1/20 0.50

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
SCHEMBL2074218 0.87 SLC6A4 (1.00) CYP2D6SLC6A2SLC6A4KCNH2GPR84
SCHEMBL2074796 0.84 CYP2D6 (0.75) CYP2D6SLC6A2SLC6A4KCNH2GPR84
SCHEMBL108954 0.82 GPR84 (0.84) CYP2D6SLC6A2SLC6A4KCNH2GPR84
SCHEMBL12933658 0.81 KCNH2 (0.69) CYP2D6SLC6A2SLC6A4KCNH2GPR84
SCHEMBL5186684 0.79 CYP2D6 (0.67) CYP2D6SLC6A2SLC6A4KCNH2GPR84
SCHEMBL2073813 0.79 CYP2D6 (0.67) CYP2D6SLC6A2SLC6A4KCNH2GPR84
SCHEMBL2073839 0.78 SLC6A4 (0.66) CYP2D6SLC6A2SLC6A4KCNH2GPR84
SCHEMBL3637320 0.78 KCNH2 (0.74) CYP2D6SLC6A2SLC6A4KCNH2MEN1
SCHEMBL2074210 0.77 CYP2D6 (0.64) CYP2D6SLC6A2SLC6A4KCNH2GPR84
SCHEMBL14168804 0.77 GPR84 (0.64) CYP2D6SLC6A2SLC6A4KCNH2GPR84

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

“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.