SCHEMBL5091801

SCHEMBL5091801

C=NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 10/20 0.62
▸ BACE1 P56817 10/20 0.62
▸ CCR3 P51677 1/20 0.59
▸ SIGMAR1 Q99720 1/20 0.59
▸ BCHE P06276 5/20 0.56
▸ DRD2 P14416 1/20 0.56
▸ DRD4 P21917 1/20 0.56
▸ DRD3 P35462 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.51
▸ CXCR4 P61073 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL41919 0.82 ACHE (0.62) ACHEBACE1CCR3SIGMAR1BCHE
SCHEMBL3366239 0.82 ACHE (0.67) ACHEBACE1CCR3SIGMAR1BCHE
SCHEMBL5655033 0.81 ACHE (0.57) ACHEBACE1CCR3SIGMAR1BCHE
SCHEMBL1232375 0.79 ACHE (0.67) ACHEBACE1CCR3SIGMAR1BCHE
SCHEMBL8315434 0.79 ACHE (0.71) ACHEBACE1CCR3SIGMAR1BCHE
SCHEMBL4987941 0.78 ACHE (0.57) ACHEBACE1CCR3SIGMAR1BCHE
SCHEMBL10187502 0.78 ACHE (0.56) ACHEBACE1CCR3SIGMAR1BCHE
SCHEMBL17590415 0.78 ACHE (0.57) ACHEBACE1CCR3SIGMAR1BCHE
Ammonia Solution, Strong SCHEMBL27454776 0.78 ACHE (0.65) ACHEBACE1CCR3SIGMAR1BCHE
Hydrochloric Acid SCHEMBL28439633 0.78 ACHE (0.65) ACHEBACE1CCR3SIGMAR1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442713-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE GMBH (DE) 2008-10-28 — — US disclosed
US-7253191-B2 2-thio-substituted imidazole derivatives and the use thereof in the pharmaceutical industry MERCKLE GMBH (DE) 2007-08-07 — — US disclosed
US-20060252810-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics LAUFER STEFAN 2006-11-09 — — US disclosed
EP-1506187-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2005-02-16 — — EP disclosed
EP-1362045-B1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2004-11-17 — — EP disclosed
US-20040116416-A1 2-thio-substituted imidazole derivatives and the use thereof in the pharmaceutical industry MERCKLE GMBH (DE) 2004-06-17 — — US disclosed
WO-2003097633-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2003-11-27 — — WO disclosed
EP-1362045-A2 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2003-11-19 — — EP disclosed
WO-2002066458-A2 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2002-08-29 — — 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-20060252810-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics IL2, TPMT, IFNG ACHE 1904/4885BACE1 3660/4885CCR3 533/4885

“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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