SCHEMBL2493348

SCHEMBL2493348

O=C(c1cn(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cn1)c1nccs1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.50
SCN10A Q9Y5Y9 2/20 0.50
CTSA P10619 1/20 0.49
CYP2C9 P11712 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
GRM5 P41594 1/20 0.43

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
SCHEMBL2494453 0.88 CTSA (0.47) CTSAGRM5
SCHEMBL2500983 0.86 SCN9A (0.54) SCN9ASCN10ACTSACYP2C9GRM5
SCHEMBL2493502 0.85 SCN9A (0.53) SCN9ASCN10ACTSACYP2C9CYP3A4
SCHEMBL2495929 0.85 SCN9A (0.51) SCN9ASCN10ACTSACYP2C9CYP3A4
SCHEMBL1883650 0.83 SCN9A (0.58) SCN9ASCN10ACTSACYP2C9GRM5
SCHEMBL2495563 0.83 CTSA (0.43) CTSAGRM5
SCHEMBL2498690 0.83 SCN9A (0.53) SCN9ASCN10ACYP2C9CYP3A4CYP2D6
SCHEMBL2503497 0.83 MGLL (0.49) SCN9ACTSAGRM5
SCHEMBL2501040 0.83 SCN9A (0.57) SCN9ASCN10ACYP2C9CYP3A4CYP2D6
SCHEMBL2502847 0.83 SCN9A (0.52) SCN9ASCN10ACYP2C9CYP3A4CYP2D6

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 6 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
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.