SCHEMBL2498043

SCHEMBL2498043

CON(C)C(=O)c1cn(-c2cccc(-c3ccnc(F)c3)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.36
ROCK2 O75116 5/20 0.36
DHFR P00374 1/20 0.35
ROCK1 Q13464 4/20 0.35
PRKACA P17612 2/20 0.35
PRKG1 Q13976 2/20 0.35
CYP2C9 P11712 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
AKT1 P31749 1/20 0.35
CNR2 P34972 1/20 0.35
USP30 Q70CQ3 1/20 0.35
MLLT3 P42568 1/20 0.34
MLLT1 Q03111 1/20 0.34
CYP3A4 P08684 2/20 0.34
NOTUM Q6P988 1/20 0.34
CTSA P10619 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2500104 0.87 COMT (0.40) TRPM8USP30MLLT3MLLT1CYP3A4
SCHEMBL2494711 0.87 TRPM8 (0.38) TRPM8USP30MLLT3MLLT1NOTUM
SCHEMBL2503114 0.84 BACE1 (0.38) TRPM8
SCHEMBL1878814 0.82 KDM4E (0.43) DHFRMLLT3MLLT1CTSA
SCHEMBL2497645 0.81 DHFR (0.39) ROCK2DHFRROCK1PRKACAPRKG1
SCHEMBL2497597 0.81 CTSA (0.40) TRPM8CTSA
SCHEMBL2495973 0.81 SCN9A (0.41) TRPM8CTSALPAR5
SCHEMBL2498115 0.80 CTSA (0.41) TRPM8CTSALPAR5
SCHEMBL1880213 0.80 NOTUM (0.56) NOTUMMEN1KMT2A
SCHEMBL12191255 0.80 NOTUM (0.41) USP30MLLT3MLLT1NOTUMMEN1

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 TRPM8 666/4885ROCK2 2691/4885DHFR 3315/4885

“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.