SCHEMBL2198922

SCHEMBL2198922

CN(C)C(=O)Oc1ccccc1CO

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
RAB9A P51151 2/20 0.53
PKM P14618 1/20 0.53
NPC1 O15118 1/20 0.53
NCEH1 Q6PIU2 11/20 0.51
LMNA P02545 1/20 0.50
EPHX1 P07099 1/20 0.50
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL10778554 0.84 TSHR (0.68) TSHRRAB9APKMNPC1NCEH1
SCHEMBL2203331 0.84 TSHR (0.60) TSHRRAB9APKMNPC1NCEH1
SCHEMBL16965607 0.83 TSHR (0.58) TSHRRAB9APKMNPC1NCEH1
SCHEMBL16965115 0.82 RAB9A (0.60) TSHRRAB9APKMNPC1NCEH1
SCHEMBL6171598 0.81 TSHR (0.57) TSHRRAB9APKMNPC1NCEH1
SCHEMBL10614802 0.80 TSHR (0.72) TSHRRAB9APKMNPC1NCEH1
SCHEMBL30887831 0.80 TSHR (0.56) TSHRRAB9APKMNPC1NCEH1
SCHEMBL3628841 0.79 PTGS2 (0.53) TSHRLMNAEPHX1ALDH1A1
Hydrochloric Acid SCHEMBL29501016 0.79 TSHR (0.66) TSHRRAB9APKMNPC1NCEH1
SCHEMBL3342292 0.79 EPHX1 (0.53) TSHRLMNAEPHX1ALDH1A1

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-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
EP-1868998-A2 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS Insa Rouen (FR) 2007-12-26 EP disclosed
WO-2006103120-A2 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2006-10-05 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-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS NLN, SNCA, APP TSHR 4786/4885RAB9A 1428/4885PKM 1002/4885

“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.