SCHEMBL3533562

SCHEMBL3533562

[CH2]CC(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.42
ACHE P22303 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C19 P33261 1/20 0.41
CYP19A1 P11511 3/20 0.39
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
IDO1 P14902 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
FFAR1 O14842 1/20 0.34
HTR1A P08908 2/20 0.34
HTR7 P34969 2/20 0.34
HTR6 P50406 2/20 0.34

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
SCHEMBL5013820 0.80 CYP19A1 (0.44) CHRNA7ACHETDP1CYP2C19CYP19A1
SCHEMBL9180201 0.77 ACHE (0.48) CHRNA7ACHETDP1CYP2C19IDO1
SCHEMBL6546999 0.76 ACHE (0.44) CHRNA7ACHETDP1CYP2C19CYP19A1
SCHEMBL5252547 0.75 ALDH1A1 (0.43) CHRNA7ACHETDP1LMNATSHR
SCHEMBL94275 0.75 HTR2A (0.52) TDP1LMNATSHR
SCHEMBL1283383 0.74 IDO1 (0.41) CYP19A1CNR1CNR2LMNATSHR
SCHEMBL4635178 0.74 TSHR (0.44) CHRNA7TDP1CYP2C19CYP19A1CNR1
SCHEMBL15658396 0.74 CHRNA7 (0.42) CHRNA7ACHETDP1CYP2C19CYP19A1
SCHEMBL516439 0.74 TAAR1 (0.59) CHRNA7ACHETDP1CYP2C19CYP19A1
SCHEMBL8321990 0.73 ACP3 (0.47) ACHECYP19A1CNR1LMNATSHR

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 14 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
CN-111386331-A Ester compound, lubricating oil composition containing same, and method for producing same 埃克森美孚化学专利公司 2020-07-07 CN disclosed
CN-111033862-A Method for inhibiting decomposition of silyl ester compound 株式会社艾迪科 2020-04-17 CN disclosed
EP-2086960-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-03-05 EP 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
US-7741354-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2010-06-22 US disclosed
EP-2091945-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2009-08-26 EP disclosed
EP-2086960-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2009-08-12 EP disclosed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 US disclosed
US-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed
US-20080207715-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-08-28 US disclosed
WO-2008055947-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-05-15 WO disclosed
WO-2008055950-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-05-15 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 (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-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL CHRNA7 1421/4885ACHE 3866/4885TDP1 960/4885
US-20080207715-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL CHRNA7 2565/4885ACHE 3757/4885TDP1 1588/4885

“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.