SCHEMBL3070023

SCHEMBL3070023

Cc1cn(CC(=O)O)c(-c2cc(F)ccc2F)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 2/20 0.40
▸ AKR1A1 P14550 4/20 0.40
▸ AKR1B1 P15121 4/20 0.40
▸ CTSA P10619 5/20 0.39
▸ KIF11 P52732 5/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ CYP19A1 P11511 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL3068662 0.78 KDM4E (0.44) GRIN2BPTGDR2KDM4E
SCHEMBL15007387 0.69 GRM5 (0.62) GRIN2B
SCHEMBL4453709 0.69 ALDH1A1 (0.46) CYP19A1KDM4EALDH1A1POLBMAPT
SCHEMBL23448451 0.68 FFAR1 (0.38) CTSAKDM4EALDH1A1
SCHEMBL24407601 0.67 PKM (0.40) GRIN2BCTSAPTGDR2KDM4E
SCHEMBL15025184 0.66 GRM5 (0.57) ALDH1A1
SCHEMBL13031308 0.65 CYP19A1 (0.58) CYP19A1KDM4EALDH1A1POLBMAPT
SCHEMBL24750705 0.65 PKM (0.41) GRIN2BAKR1A1AKR1B1CTSAPTGDR2
Trifluoroacetic Acid SCHEMBL3583791 0.65 KDM4E (0.39) AKR1A1AKR1B1PTGDR2CYP19A1KDM4E
SCHEMBL4778187 0.65 CTSA (0.41) CTSAKIF11

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
EP-1368342-B3 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2010-12-01 — — EP disclosed
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 — — US disclosed
US-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 — — US disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 — — US disclosed
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 — — US disclosed
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2006-02-02 — — US disclosed
EP-1368342-B1 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2005-09-07 — — EP disclosed
US-6916819-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2005-07-12 — — US disclosed
US-20030069257-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2003-04-10 — — 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 (4 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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 GRIN2B 111/4885AKR1A1 752/4885AKR1B1 488/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 GRIN2B 111/4885AKR1A1 752/4885AKR1B1 488/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 GRIN2B 111/4885AKR1A1 752/4885AKR1B1 488/4885
US-20030069257-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABRA1, GABBR2 GRIN2B 158/4885AKR1A1 402/4885AKR1B1 323/4885

“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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