SCHEMBL2497789

SCHEMBL2497789

Cn1ccnc1C(=O)c1cn(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.51
SCN10A Q9Y5Y9 2/20 0.50
FFAR1 O14842 1/20 0.45
GRM5 P41594 1/20 0.43
CYP2C9 P11712 1/20 0.41
CTSA P10619 1/20 0.40

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
SCHEMBL2498293 0.90 FFAR1 (0.43) SCN9ASCN10AFFAR1GRM5CTSA
SCHEMBL2500983 0.86 SCN9A (0.54) SCN9ASCN10AGRM5CYP2C9CTSA
SCHEMBL2493502 0.85 SCN9A (0.53) SCN9ASCN10AGRM5CYP2C9CTSA
SCHEMBL2502847 0.84 SCN9A (0.52) SCN9ASCN10AGRM5CYP2C9
SCHEMBL2501420 0.84 SCN9A (0.44) SCN9AFFAR1GRM5
SCHEMBL1883650 0.83 SCN9A (0.58) SCN9ASCN10AGRM5CYP2C9CTSA
SCHEMBL2498110 0.83 SCN9A (0.52) SCN9ASCN10AGRM5CYP2C9
SCHEMBL2498690 0.83 SCN9A (0.53) SCN9ASCN10AGRM5CYP2C9
SCHEMBL2501210 0.83 SMN1; SMN2 (0.38)
SCHEMBL2500991 0.83 SCN9A (0.51) SCN9ASCN10AGRM5CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030339-B2 Imidazole derivatives for the treatment of anxiety and related diseases NEUROSEARCH A/S (DK) 2011-10-04 US claimed
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases NEUROSEARCH A/S (DK) 2009-09-17 US claimed
EP-1937649-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2008-07-02 EP claimed
WO-2007042546-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2007-04-19 WO claimed
US-8030339-B2 Imidazole derivatives for the treatment of anxiety and related diseases NEUROSEARCH A/S (DK) 2011-10-04 US disclosed
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases NEUROSEARCH A/S (DK) 2009-09-17 US disclosed
EP-1937649-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2008-07-02 EP disclosed
WO-2007042546-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2007-04-19 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-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases GABBR1, GABRB2, GABRB3 SCN9A 1508/4885SCN10A 1149/4885FFAR1 2141/4885

“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.