SCHEMBL12426440

SCHEMBL12426440

CN(C)C(=O)Oc1ccccc1CN1C=C(C2=NC(C)(C)CO2)c2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
ATM Q13315 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
ACHE P22303 2/20 0.31
TTK P33981 2/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL12426434 0.77 TSHR (0.37) TSHRATMALDH1A1HTTACHE
SCHEMBL12426444 0.75 TSHR (0.43) TSHRACHE
SCHEMBL12426436 0.73 ACHE (0.44) TSHRALDH1A1HTTACHE
SCHEMBL12426441 0.72 TSHR (0.41) TSHRALDH1A1ACHE
SCHEMBL12426437 0.70 TSHR (0.45) TSHRALDH1A1
SCHEMBL12426459 0.66 ACHE (0.41) TSHRACHE
SCHEMBL11488474 0.64 TSHR (0.51) TSHRALDH1A1
SCHEMBL16508608 0.63 KDM4E (0.51) ATMALDH1A1HTT
SCHEMBL18380643 0.62 KDM4E (0.61) ATMALDH1A1HTT
SCHEMBL29616919 0.62 KDM4E (0.61) ATMALDH1A1HTT

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 TSHR 4786/4885ATM 3385/4885ALDH1A1 1663/4885

“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.