SCHEMBL5239895

SCHEMBL5239895

CC(CCN)c1c[nH]c2ccc(C#N)cc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.48
▸ HTR2C P28335 2/20 0.48
▸ HTR2B P41595 2/20 0.48
▸ SLC6A4 P31645 9/20 0.45
▸ GUSB P08236 2/20 0.44
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ MAP3K14 Q99558 1/20 0.41
▸ MGAM O43451 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SI P14410 1/20 0.40
▸ MGAM2 Q2M2H8 1/20 0.40
▸ MEN1 O00255 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
SCHEMBL20078269 0.81 GUSB (0.50) HTR2ASLC6A4GUSBSLC6A2SLC6A3
SCHEMBL16801518 0.78 MEN1 (0.48) SLC6A4GUSBMEN1KMT2A
SCHEMBL3441196 0.76 MEN1 (0.46) SLC6A4GUSBSLC6A2SLC6A3MEN1
SCHEMBL20293633 0.75 NR3C1 (0.42) SLC6A4GUSBMGAMGAASI
SCHEMBL1248753 0.75 HTR2A (0.76) HTR2AHTR2CHTR2BSLC6A4SLC6A2
SCHEMBL4351898 0.75 GUSB (0.51) SLC6A4GUSBSLC6A2SLC6A3MGAM
SCHEMBL15942594 0.75 SLC6A4 (0.47) SLC6A4GUSBMEN1KMT2A
SCHEMBL7364631 0.74 GUSB (0.47) HTR2ASLC6A4GUSBSLC6A2SLC6A3
SCHEMBL10754767 0.73 GAA (0.42) SLC6A4GUSBMGAMGAASI
SCHEMBL15221665 0.73 SLC6A4 (0.45) SLC6A4GUSBSLC6A2SLC6A3MGAM

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 HTR2A 23/4885HTR2C 4/4885HTR2B 9/4885

“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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