SCHEMBL5239487

SCHEMBL5239487

Cc1ccc2c3c(ccc2n1)OC[C@H](CNCCCc1cn(C)c2ccc(F)cc12)O3

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.49
DRD2 P14416 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
DRD4 P21917 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
SLC6A4 P31645 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL5234514 1.00 HTR1A (0.49) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL5232369 0.98 HTR1A (0.48) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL5239029 0.97 HTR1A (0.48) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL5239335 0.89 HTR1A (0.51) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL5238048 0.88 HTR1A (0.46) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL5235383 0.88 HTR1A (0.46) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL5234562 0.85 HTR1A (0.52) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL5237145 0.85 HTR1A (0.49) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL5234113 0.83 HTR1A (0.48) HTR1ASLC6A4
SCHEMBL5236560 0.83 HTR1A (0.48) HTR1ASLC6A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537122-B9 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-10-31 EP disclosed
EP-1537122-B1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-08-22 EP disclosed
EP-1537122-A1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES Wyeth (US) 2005-06-08 EP disclosed
US-6800637-B2 Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines WYETH 2004-10-05 US disclosed
US-20040138222-A1 Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines WYETH 2004-07-15 US disclosed
WO-2004024734-A1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH (US) 2004-03-25 WO 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-20040138222-A1 Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines HTR5A, TPH1, DBH HTR1A 13/4885DRD2 26/4885CYP3A4 306/4885

“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.