SCHEMBL2497597

SCHEMBL2497597

COc1c(F)cccc1-c1cccc(-n2cnc(C(=O)N(C)OC)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.40
TUBB4A P04350 13/20 0.38
TUBB P07437 13/20 0.38
TUBA3C P0DPH7 13/20 0.38
TUBA1B P68363 13/20 0.38
TUBA4A P68366 13/20 0.38
TUBB4B P68371 13/20 0.38
TUBB3 Q13509 13/20 0.38
TUBB2A Q13885 13/20 0.38
TUBB8 Q3ZCM7 13/20 0.38
TUBA3E Q6PEY2 13/20 0.38
TUBA1A Q71U36 13/20 0.38
TUBA1C Q9BQE3 13/20 0.38
TUBB6 Q9BUF5 13/20 0.38
TUBB2B Q9BVA1 13/20 0.38
TUBB1 Q9H4B7 13/20 0.38
LRRK2 Q5S007 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
SCN9A Q15858 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
SCHEMBL1879116 0.87 CTSA (0.45) CTSATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2503114 0.86 BACE1 (0.38) TRPM8
SCHEMBL2501192 0.86 CTSA (0.42) CTSATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2493409 0.85 SCN9A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2495560 0.85 HTR7 (0.42) CTSATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2495973 0.84 SCN9A (0.41) CTSATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2498115 0.83 CTSA (0.41) CTSATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2493819 0.83 CTSA (0.42) CTSATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2498106 0.82 TUBB4A (0.45) CTSATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1886004 0.82 NOTUM (0.53) CTSATUBB4ATUBBTUBA3CTUBA1B

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 CTSA 3719/4885TUBB4A 1647/4885TUBB 1023/4885

“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.