SCHEMBL12426331

SCHEMBL12426331

CCOC(=O)C1=CN(C)c2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.57
NOTUM Q6P988 1/20 0.44
TSHR P16473 3/20 0.44
HSP90AA1 P07900 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43

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
SCHEMBL4767870 0.79 NOTUM (0.44) ACHENOTUMTSHRPOLBSMN1; SMN2
SCHEMBL14067698 0.77 NOTUM (0.42) NOTUMTSHRPOLBNPC1SMN1; SMN2
SCHEMBL12857207 0.77 NOTUM (0.42) NOTUMTSHRPOLBRAB9ANPC1
SCHEMBL12426379 0.76 ACHE (0.61) ACHETSHRRAB9AALDH1A1MEN1
SCHEMBL30417565 0.75 GABRG2 (0.42) ACHENOTUMGABRPGABRDGABRA1
SCHEMBL12426384 0.73 ACHE (1.00) ACHEBCHE
SCHEMBL3567927 0.73 TSHR (0.49) TSHRHSP90AA1GABRPGABRDGABRA1
SCHEMBL12426382 0.72 ACHE (0.66) ACHETSHRPOLBSMN1; SMN2ALDH1A1
SCHEMBL14067671 0.72 LMNA (0.40) NOTUMRAB9ANPC1ALDH1A1KMT2A
SCHEMBL5962488 0.72 BCHE (0.61) NOTUMTSHRRAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1868998-B1 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS VFP THERAPIES (FR) 2016-05-25 EP disclosed
US-7977354-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents INSA ROUEN (FR) 2011-07-12 US disclosed
US-7977354-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents INSA ROUEN (FR) 2011-07-12 US disclosed
US-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2009-03-05 US disclosed
US-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2009-03-05 US 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-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS NLN, SNCA, APP ACHE 17/4885NOTUM 1195/4885TSHR 4786/4885

“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.