SCHEMBL2072532

SCHEMBL2072532

CNCCC(c1ccc(OC)cc1)c1cc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 6/20 0.48
▸ SLC6A2 P23975 5/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ MAPT P10636 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ HTR2A P28223 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ CNR1 P21554 3/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42

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
SCHEMBL2071266 0.88 HTR2A (0.57) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL2072549 0.88 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3MAPTKDM4E
SCHEMBL2073550 0.88 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3MAPTNPC1
SCHEMBL2071442 0.81 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3MAPTKDM4E
SCHEMBL2305138 0.80 SLC6A4 (0.73) SLC6A4SLC6A2SLC6A3NPC1HTR2A
SCHEMBL2074377 0.76 SLC6A2 (0.49) SLC6A4SLC6A2SLC6A3NPC1RAB9A
SCHEMBL2074684 0.75 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3MAPTHTR2A
SCHEMBL2072650 0.73 SLC6A4 (0.79) SLC6A4SLC6A2MAPTALDH1A1GAA
SCHEMBL12426669 0.72 SLC6A2 (0.62) SLC6A4SLC6A2SLC6A3MAPTHTR2A
SCHEMBL3823645 0.71 HTR2A (0.51) SLC6A4SLC6A2SLC6A3HTR2AHRH1

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 9/4885SLC6A3 4/4885

“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.

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