SCHEMBL2073713

SCHEMBL2073713

CNCCC(c1cccnc1)c1c[nH]c2cccc(OC(C)C)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.48
SLC6A4 P31645 8/20 0.48
CYP2D6 P10635 5/20 0.48
KCNH2 Q12809 3/20 0.48
CACNA2D1 P54289 4/20 0.35
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 4/20 0.35
TSHR P16473 3/20 0.35
SLC6A3 Q01959 3/20 0.35
HTR2A P28223 3/20 0.35
HRH1 P35367 3/20 0.35
KMT2A Q03164 2/20 0.35
CHRM1 P11229 2/20 0.35
ADRA2B P18089 2/20 0.35
HTR2C P28335 2/20 0.35
OPRM1 P35372 2/20 0.35
DRD3 P35462 2/20 0.35
OPRK1 P41145 2/20 0.35
HTR2B P41595 2/20 0.35
KLF10 Q13118 2/20 0.35

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
SCHEMBL2074123 0.90 SLC6A2 (0.50) SLC6A2SLC6A4CYP2D6KCNH2CYP1A2
SCHEMBL2071727 0.88 SLC6A4 (0.62) SLC6A2SLC6A4CYP2D6KCNH2CYP1A2
SCHEMBL2071730 0.88 SLC6A4 (0.62) SLC6A2SLC6A4CYP2D6KCNH2CYP1A2
SCHEMBL2074663 0.88 SLC6A4 (0.62) SLC6A2SLC6A4CYP2D6KCNH2CYP1A2
SCHEMBL27682977 0.86 SLC6A2 (0.36) SLC6A2SLC6A4CYP2D6KCNH2SLC6A3
SCHEMBL2075042 0.84 SLC6A2 (0.44) SLC6A2SLC6A4CYP2D6KCNH2CYP1A2
SCHEMBL2075294 0.83 SLC6A4 (0.52) SLC6A2SLC6A4CYP2D6KCNH2SLC6A3
SCHEMBL3229401 0.79 SLC6A2 (0.49) SLC6A2SLC6A4CYP2D6KCNH2CYP1A2
SCHEMBL13431321 0.79 SLC6A2 (0.49) SLC6A2SLC6A4CYP2D6KCNH2CYP1A2
Hydrochloric Acid SCHEMBL3223442 0.78 SLC6A2 (0.48) SLC6A2SLC6A4CYP2D6KCNH2CYP1A2

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 SLC6A2 9/4885SLC6A4 14/4885CYP2D6 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.