SCHEMBL1707627

SCHEMBL1707627

CC[CH]c1cc(C)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UHRF1 Q96T88 1/20 0.48
▸ CCR1 P32246 1/20 0.48
▸ CCR5 P51681 1/20 0.48
▸ CCR8 P51685 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ NOS2 P35228 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ NOS3 P29474 1/20 0.45
▸ NOS1 P29475 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PLAU P00749 1/20 0.37
▸ CYP2A6 P11509 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HTR1A P08908 2/20 0.33
▸ ADRA1D P25100 2/20 0.33

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
SCHEMBL1707282 0.77 — —
SCHEMBL27845876 0.77 ALDH1A1 (0.38) KDM4EKMT2ANOS2MEN1NOS3
SCHEMBL29875378 0.76 — —
SCHEMBL457223 0.76 — —
SCHEMBL3077708 0.76 — —
SCHEMBL1282140 0.76 — —
Diethylamine SCHEMBL6640415 0.75 UHRF1 (0.41) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL13529232 0.75 UHRF1 (0.41) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL23917887 0.74 UHRF1 (0.48) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL12849272 0.74 UHRF1 (0.39) UHRF1CCR1CCR5CCR8KDM4E

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
US-9126987-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-09-08 — — US disclosed
EP-2091948-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-04-18 — — EP disclosed
EP-2091948-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2009-08-26 — — EP 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

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-20080214620-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, GLUL UHRF1 3884/4885CCR1 2884/4885CCR5 3142/4885

“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.

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