SCHEMBL2495973

SCHEMBL2495973

COc1cccc(F)c1-c1cccc(-n2cnc(C(=O)N(C)OC)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
CTSA P10619 6/20 0.40
MAP4K1 Q92918 4/20 0.36
LPAR5 Q9H1C0 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34

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
SCHEMBL2494711 0.88 TRPM8 (0.38) SCN9ASCN10ACTSALPAR5TRPM8
SCHEMBL1887078 0.87 CTSA (0.45) SCN9ASCN10ACTSAMAP4K1
SCHEMBL2493418 0.86 SCN9A (0.43) SCN9ASCN10ACTSAMAP4K1HTR1A
SCHEMBL2498115 0.85 CTSA (0.41) SCN9ASCN10ACTSALPAR5TRPM8
SCHEMBL2495560 0.85 HTR7 (0.42) SCN9ASCN10ACTSALPAR5HTR7
SCHEMBL2497597 0.84 CTSA (0.40) SCN9ACTSAGPBAR1TRPM8TUBB4A
SCHEMBL2499318 0.83 HSP90AA1 (0.42) SCN9ASCN10ACTSAMAP4K1TUBB4A
SCHEMBL2503012 0.83 CTSA (0.42) SCN9ASCN10ACTSAMAP4K1HTR1A
SCHEMBL2502858 0.83 SCN9A (0.41) SCN9ASCN10ACTSAMAP4K1TUBB4A
SCHEMBL1881119 0.82 NOTUM (0.53) SCN9ASCN10ACTSAMAP4K1

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-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases NEUROSEARCH A/S (DK) 2009-09-17 US 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 1149/4885CTSA 3719/4885

“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.