SCHEMBL3157204

SCHEMBL3157204

O=C(CCCc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 13/20 1.00
▸ ACHE P22303 13/20 1.00
▸ CHRM4 P08173 1/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ HTR1A P08908 1/20 0.60
▸ SLC6A4 P31645 1/20 0.60

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
SCHEMBL3147014 0.94 BCHE (1.00) BCHEACHECHRM4
SCHEMBL3146771 0.89 BCHE (1.00) BCHEACHECHRM4
SCHEMBL3137160 0.84 BCHE (0.75) BCHEACHECHRM4HTR1ASLC6A4
SCHEMBL3153491 0.78 ACHE (1.00) BCHEACHECHRM4HTR1A
SCHEMBL6643764 0.77 MEN1 (0.76) BCHEACHEMEN1KMT2A
SCHEMBL27407251 0.77 ACHE (0.63) BCHEACHECHRM4
SCHEMBL9572763 0.77 ALDH1A1 (0.68) BCHEACHECHRM4KMT2AHTR1A
SCHEMBL25293626 0.77 HTR1A (0.77) BCHEACHEHTR1ASLC6A4
SCHEMBL5578012 0.76 MEN1 (0.83) BCHEACHEMEN1KMT2A
SCHEMBL25285801 0.76 HTR1A (0.81) BCHEACHEHTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758888-B1 BUTYRYLCHOLINESTERASE SELECTIVE INHIBITORS NEUROPHARMA S A U (ES) 2010-02-17 — — EP disclosed
US-20080119521-A1 Butyrlcholinesterase Selective Inhibitors NEUROPHARMA, S.A. (ES) 2008-05-22 — — US disclosed
US-20080119521-A1 Butyrlcholinesterase Selective Inhibitors NEUROPHARMA, S.A. (ES) 2008-05-22 — — US disclosed
US-20080119521-A1 Butyrlcholinesterase Selective Inhibitors NEUROPHARMA, S.A. (ES) 2008-05-22 — — US disclosed
CN-1960986-A Butyrylcholinesterase selective inhibitors NEUROPHARMA S A U (ES) 2007-05-09 — — CN disclosed
EP-1758888-A1 BUTYRYLCHOLINESTERASE SELECTIVE INHIBITORS Neuropharma S.A.U. (ES) 2007-03-07 — — EP disclosed
WO-2005118570-A1 BUTYRYLCHOLINESTERASE SELECTIVE INHIBITORS NEUROPHARMA, S.A. (ES) 2005-12-15 — — WO disclosed
EP-1600447-A1 Butyrylcholinesterase selective inhibitors Neuropharma S.A.U. (ES) 2005-11-30 — — EP 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-20080119521-A1 Butyrlcholinesterase Selective Inhibitors BCHE, ACHE, BACE1 BCHE 1/4885ACHE 2/4885CHRM4 64/4885

“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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