SCHEMBL647651

SCHEMBL647651

[CH2]c1ccc2c(c1)OCCC2

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.37
CTNNB1 P35222 2/20 0.37
WNT3A P56704 2/20 0.37
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
HTR1D P28221 1/20 0.35
HTR2C P28335 1/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL294882 0.88 CHRM2 (0.40) DYRK1ADYRK1B
SCHEMBL648109 0.84 DYRK1A (0.46) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL97599 0.81
SCHEMBL12526764 0.78 KCNH2 (0.38) KCNH2CTNNB1WNT3ACLK1DYRK1A
SCHEMBL8758775 0.78 CTNNB1 (0.41) KCNH2CTNNB1WNT3ACLK1DYRK1A
SCHEMBL97600 0.77 NPC1 (0.44)
SCHEMBL3644639 0.76 FABP6 (0.41) KCNH2CTNNB1WNT3A
SCHEMBL16596620 0.76 KCNH2 (0.37) KCNH2CTNNB1WNT3ACLK1DYRK1A
SCHEMBL3524411 0.76 LMNA (0.50) KCNH2CTNNB1WNT3ACLK1DYRK1A
SCHEMBL8699804 0.76 MAOA (0.49) CTNNB1WNT3A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US claimed
US-7169775-B2 Amino methyl imidazoles as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-01-30 US claimed
CN-1646497-A Novel arylimidazoles and related compounds as modulators of the C5a receptor NEUROGEN CORP (US) 2005-07-27 CN claimed
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-29 EP claimed
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 US claimed
US-20040082577-A1 Amino methyl imidazoles as C5a receptor modulators NEUROGEN CORPORATION 2004-04-29 US claimed
WO-2004018460-A1 AMINO METHYL IMIDAZOLES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-03-04 WO claimed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO claimed
EP-4136084-A1 BCL-2 INHIBITOR BeiGene, Ltd. (KY) 2023-02-22 EP disclosed
WO-2021208963-A1 BCL-2 INHIBITOR BEIGENE, LTD. (KY) 2021-10-21 WO disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8007767-B2 Amino methyl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-08-30 US disclosed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-20070212297-A1 Amino methyl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-13 US disclosed
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 US disclosed
US-20040082577-A1 Amino methyl imidazoles as C5a receptor modulators NEUROGEN CORPORATION 2004-04-29 US disclosed
WO-2004018460-A1 AMINO METHYL IMIDAZOLES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-03-04 WO disclosed
US-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-01-22 US disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 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 (3 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-20040082577-A1 Amino methyl imidazoles as C5a receptor modulators C5AR1, C5AR2, C3AR1 KCNH2 1404/4885CTNNB1 4458/4885WNT3A 4039/4885
US-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components C5AR1, C5AR2, C3AR1 KCNH2 3554/4885CTNNB1 3186/4885WNT3A 3250/4885
US-20070212297-A1 Amino methyl imidazoles and related compounds as C5a receptor modulators C5AR1, C3AR1, C5AR2 KCNH2 1442/4885CTNNB1 4469/4885WNT3A 3733/4885

“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.