SCHEMBL2074423

SCHEMBL2074423

CNCCC(c1ccccc1)c1cc2cccc(NS(C)(=O)=O)c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.47
▸ HTR2A P28223 2/20 0.44
▸ HRH1 P35367 2/20 0.44
▸ NR3C1 P04150 2/20 0.43
▸ PGR P06401 1/20 0.43
▸ NR3C2 P08235 1/20 0.43
▸ AR P10275 1/20 0.43
▸ PLA2G7 Q13093 4/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38

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
SCHEMBL2074606 0.81 HTR2A (0.49) SLC6A4HTR2AHRH1SLC6A2SLC6A3
SCHEMBL2075092 0.81 HTR2A (0.51) SLC6A4HTR2AHRH1SLC6A2SLC6A3
SCHEMBL2074077 0.81 HTR2A (0.51) SLC6A4HTR2AHRH1SLC6A2SLC6A3
SCHEMBL2073654 0.76 SLC6A4 (0.48) SLC6A4HTR2AHRH1SLC6A2SLC6A3
SCHEMBL2074259 0.75 SLC6A4 (0.59) SLC6A4HTR2AHRH1NR3C1PGR
SCHEMBL2071266 0.75 HTR2A (0.57) SLC6A4HTR2AHRH1SLC6A2SLC6A3
SCHEMBL2072627 0.71 SLC6A2 (0.60) SLC6A4HTR2AHRH1NR3C1PGR
SCHEMBL3823645 0.71 HTR2A (0.51) SLC6A4HTR2AHRH1SLC6A2SLC6A3
SCHEMBL2074684 0.68 SLC6A4 (0.50) SLC6A4HTR2AHRH1SLC6A2SLC6A3
SCHEMBL2073550 0.66 SLC6A4 (0.48) SLC6A4HTR2AHRH1SLC6A2SLC6A3

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 14/4885HTR2A 17/4885HRH1 226/4885

“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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