SCHEMBL2072912

SCHEMBL2072912

CNCCC(c1ccc(F)cc1)c1c[nH]c2cccc(OC)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.54
SLC6A2 P23975 4/20 0.54
CYP2D6 P10635 2/20 0.54
KCNH2 Q12809 1/20 0.54
HTR6 P50406 3/20 0.45
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HTR2A P28223 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PMP22 Q01453 1/20 0.41
MITF O75030 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 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
SCHEMBL2073643 0.92 SLC6A4 (0.64) SLC6A4SLC6A2CYP2D6KCNH2HTR6
SCHEMBL1714532 0.92 SLC6A4 (0.64) SLC6A4SLC6A2CYP2D6KCNH2HTR6
SCHEMBL1714535 0.92 SLC6A4 (0.64) SLC6A4SLC6A2CYP2D6KCNH2HTR6
Hydrochloric Acid SCHEMBL2071436 0.91 SLC6A2 (0.63) SLC6A4SLC6A2CYP2D6KCNH2HTR6
Hydrochloric Acid SCHEMBL2071435 0.91 SLC6A2 (0.63) SLC6A4SLC6A2CYP2D6KCNH2HTR6
Iodide SCHEMBL2071566 0.91 SLC6A2 (0.63) SLC6A4SLC6A2CYP2D6KCNH2HTR6
Iodide SCHEMBL2071562 0.91 SLC6A2 (0.63) SLC6A4SLC6A2CYP2D6KCNH2HTR6
SCHEMBL2074376 0.87 SLC6A4 (0.53) SLC6A4SLC6A2CYP2D6KCNH2HTR6
SCHEMBL2070997 0.87 SLC6A4 (0.53) SLC6A4SLC6A2CYP2D6KCNH2HTR6
SCHEMBL2074104 0.85 SLC6A4 (0.55) SLC6A4SLC6A2CYP2D6KCNH2HTR6

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.