SCHEMBL2074801

SCHEMBL2074801

CNCCC(c1ccccc1)c1c[nH]c2cc(F)ccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.72
SLC6A2 P23975 2/20 0.72
CYP2D6 P10635 1/20 0.72
KCNH2 Q12809 1/20 0.72
HTR2A P28223 1/20 0.49
HRH1 P35367 1/20 0.49
SLC6A3 Q01959 1/20 0.46
GPR84 Q9NQS5 3/20 0.44
MPO P05164 2/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 1/20 0.44
FFAR1 O14842 1/20 0.42
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
MCL1 Q07820 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL12933709 0.90 SLC6A4 (0.72) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2073934 0.85 SLC6A4 (0.72) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2074218 0.84 SLC6A4 (1.00) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL12933649 0.83 SLC6A4 (0.69) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2075117 0.82 SLC6A4 (0.67) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL27682924 0.80 MEN1 (0.48) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2072636 0.78 SLC6A4 (0.72) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL3215303 0.78 SLC6A4 (0.72) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2071842 0.77 SLC6A4 (0.67) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL15229557 0.77 MGAM (0.55) GPR84MEN1KMT2APOLBALDH1A1

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.