SCHEMBL3153491

SCHEMBL3153491

O=C(Cc1c[nH]c2ccc(Br)cc12)NCCC1CCN(Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 10/20 1.00
▸ BCHE P06276 10/20 1.00
▸ SIGMAR1 Q99720 3/20 0.75
▸ HTR1A P08908 1/20 0.56
▸ CHRM4 P08173 1/20 0.55
▸ MAOB P27338 1/20 0.55

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
SCHEMBL3146771 0.89 BCHE (1.00) ACHEBCHESIGMAR1CHRM4
SCHEMBL3147014 0.80 BCHE (1.00) ACHEBCHESIGMAR1CHRM4
SCHEMBL3157204 0.78 BCHE (1.00) ACHEBCHEHTR1ACHRM4
SCHEMBL8133153 0.78 BCHE (0.63) ACHEBCHESIGMAR1HTR1A
SCHEMBL3137160 0.74 BCHE (0.75) ACHEBCHESIGMAR1HTR1ACHRM4
SCHEMBL7240526 0.74 SIGMAR1 (1.00) ACHEBCHESIGMAR1
SCHEMBL3155847 0.73 ACHE (1.00) ACHEBCHECHRM4
SCHEMBL3137141 0.72 ACHE (1.00) ACHEBCHECHRM4
SCHEMBL9793444 0.72 OPRM1 (0.77) ACHEBCHESIGMAR1CHRM4
SCHEMBL7368234 0.72 SIGMAR1 (0.74) ACHEBCHESIGMAR1

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 ACHE 2/4885BCHE 1/4885SIGMAR1 2952/4885

“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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