SCHEMBL2495899

SCHEMBL2495899

CON(C)C(=O)c1cn(-c2cccc(-c3cccnc3Cl)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.37
CTSA P10619 1/20 0.35
GRM5 P41594 2/20 0.34
SCN9A Q15858 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MLLT3 P42568 1/20 0.33
MLLT1 Q03111 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
USP30 Q70CQ3 1/20 0.32
DHODH Q02127 3/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR2 P34972 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31

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
SCHEMBL2503114 0.89 BACE1 (0.38) TRPM8
SCHEMBL2493409 0.88 SCN9A (0.45) NOTUMGRM5SCN9AMLLT3MLLT1
SCHEMBL2495560 0.84 HTR7 (0.42) CTSAGRM5SCN9AALDH1A1HPGD
SCHEMBL2500104 0.83 COMT (0.40) NOTUMMLLT3MLLT1MEN1KMT2A
SCHEMBL2501423 0.83 CTSA (0.40) NOTUMCTSAGRM5SCN9AMLLT3
SCHEMBL1887879 0.83 CTSA (0.42) CTSASCN9AMLLT3MLLT1DHODH
SCHEMBL2501478 0.81 GABRA1 (0.43)
SCHEMBL2497597 0.81 CTSA (0.40) CTSASCN9ATRPM8
SCHEMBL2503546 0.81 CTSA (0.39) NOTUMCTSAGRM5SCN9AMLLT3
SCHEMBL1884790 0.81 NOTUM (0.60) NOTUMCTSAGRM5SCN9AALDH1A1

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 NOTUM 4467/4885CTSA 3719/4885GRM5 46/4885

“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.