SCHEMBL5233991

SCHEMBL5233991

Cc1ccc2c3c(ccc2n1)OCC(CNCCCc1c[nH]c2ccccc12)O3

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.54
SLC6A4 P31645 1/20 0.54
MAPT P10636 2/20 0.47
DRD2 P14416 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 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
SCHEMBL5233437 0.97 HTR1A (0.54) HTR1ASLC6A4MAPTDRD2HTR2A
SCHEMBL5236560 0.89 HTR1A (0.48) HTR1ASLC6A4
SCHEMBL5234113 0.89 HTR1A (0.48) HTR1ASLC6A4
SCHEMBL5237424 0.87 HTR1A (0.43) HTR1ASLC6A4DRD2HTR2AHTR2C
SCHEMBL5232373 0.86 HTR1A (0.49) HTR1ASLC6A4DRD2HTR2AHTR2C
SCHEMBL5233106 0.86 HTR1A (0.47) HTR1ASLC6A4
SCHEMBL5235551 0.86 HTR1A (0.47) HTR1ASLC6A4
Hydrochloric Acid SCHEMBL5235744 0.86 HTR1A (0.46) HTR1ASLC6A4
SCHEMBL5235124 0.86 HTR1A (0.46) HTR1ASLC6A4
SCHEMBL6792078 0.84 HTR1A (0.50) HTR1ASLC6A4MAPTDRD2HTR2A

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 12 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 claimed
EP-1537122-B1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-08-22 EP claimed
EP-1537122-A1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES Wyeth (US) 2005-06-08 EP claimed
US-6800637-B2 Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines WYETH 2004-10-05 US claimed
US-20040138222-A1 Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines WYETH 2004-07-15 US claimed
WO-2004024734-A1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH (US) 2004-03-25 WO claimed
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 13/4885SLC6A4 42/4885MAPT 2283/4885

“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.