SCHEMBL2495560

SCHEMBL2495560

COc1ccccc1-c1cccc(-n2cnc(C(=O)N(C)OC)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.42
GRM5 P41594 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SCN9A Q15858 4/20 0.38
PTPN5 P54829 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
CTSA P10619 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37

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
SCHEMBL2498115 0.90 CTSA (0.41) SCN9ALPAR5SCN10ACTSATUBB4A
SCHEMBL2497672 0.89 SCN9A (0.52) GRM5SCN9ASCN10A
SCHEMBL2493409 0.88 SCN9A (0.45) GRM5SCN9ATUBB4ATUBBTUBA3C
SCHEMBL2500104 0.87 COMT (0.40) HPGDALDH1A1HSD17B10CYP3A4
SCHEMBL1886079 0.86 HTR7 (0.46) HTR7GRM5SCN9ACTSAEGLN1
SCHEMBL2495973 0.85 SCN9A (0.41) HTR7SCN9ALPAR5SCN10ACTSA
SCHEMBL2501478 0.85 GABRA1 (0.43)
SCHEMBL2497597 0.85 CTSA (0.40) SCN9ACTSATUBB4ATUBBTUBA3C
SCHEMBL2497157 0.85 HTR7 (0.46) HTR7GRM5MAOAMAOBSCN9A
SCHEMBL2503114 0.84 BACE1 (0.38)

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 HTR7 95/4885GRM5 46/4885MAOA 100/4885

“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.