SCHEMBL1706397

SCHEMBL1706397

[CH2]C(C)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
MAPT P10636 4/20 0.48
CYP3A4 P08684 1/20 0.48
CA9 Q16790 1/20 0.48
PTGS2 P35354 1/20 0.45
TUBB4A P04350 3/20 0.44
TUBB P07437 3/20 0.44
TUBA3C P0DPH7 3/20 0.44
TUBA1B P68363 3/20 0.44
TUBA4A P68366 3/20 0.44
TUBB4B P68371 3/20 0.44
TUBB3 Q13509 3/20 0.44
TUBB2A Q13885 3/20 0.44
TUBB8 Q3ZCM7 3/20 0.44
TUBA3E Q6PEY2 3/20 0.44
TUBA1A Q71U36 3/20 0.44
TUBA1C Q9BQE3 3/20 0.44
TUBB6 Q9BUF5 3/20 0.44
TUBB2B Q9BVA1 3/20 0.44
TUBB1 Q9H4B7 3/20 0.44

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
SCHEMBL8910480 0.84 ACHE (0.52) ACHEMAPTCYP3A4CA9PTGS2
SCHEMBL683553 0.81 ACHE (0.54) ACHEMAPTCYP3A4CA9PTGS2
SCHEMBL9828544 0.81 ACHE (0.54) ACHEMAPTCYP3A4CA9PTGS2
SCHEMBL11124910 0.80 MAPT (0.52) ACHEMAPTCYP3A4CA9PTGS2
SCHEMBL27881317 0.80 ACHE (0.48) ACHEMAPTCYP3A4CA9PTGS2
SCHEMBL8751285 0.77 ACHE (0.50) ACHEMAPTCYP3A4CA9PTGS2
SCHEMBL11951323 0.77 ACHE (0.50) ACHEMAPTCYP3A4CA9PTGS2
SCHEMBL11951324 0.77 ACHE (0.50) ACHEMAPTCYP3A4CA9PTGS2
SCHEMBL1134650 0.77 ACHE (0.50) ACHEMAPTCYP3A4CA9PTGS2
SCHEMBL4304719 0.77 ACHE (0.50) ACHEMAPTCYP3A4CA9PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 EP claimed
US-9126987-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-09-08 US disclosed
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 EP disclosed
US-8420684-B2 imidazole derivatives; Alzheimer's Disease, Down syndrome, Huntington's Disease; hypotensive agents; sleeping/eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 4-Cyclopropylimino-5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-yl-propyl)-imidazolidin-2-one PROBIODRUG AG (DE) 2013-04-16 US disclosed
EP-2091948-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-04-18 EP disclosed
EP-2091945-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2009-08-26 EP disclosed
EP-2091948-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2009-08-26 EP disclosed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 US disclosed
US-20080214620-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-09-04 US disclosed
WO-2008065141-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-06-05 WO disclosed
WO-2008055947-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-05-15 WO disclosed
US-3936462-A CNS DEPRESSANT, ANALGESIC STERLING DRUG INC. (US) 1976-02-03 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 (2 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-20080214620-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, GLUL ACHE 4326/4885MAPT 4790/4885CYP3A4 3042/4885
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL ACHE 3866/4885MAPT 3228/4885CYP3A4 2214/4885

“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.