SCHEMBL5445901

SCHEMBL5445901

CCC(CC)Oc1nc(C)c(-c2ccc(OC(F)(F)F)cc2OC)nc1Cl

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.62
SCN9A Q15858 1/20 0.36

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
SCHEMBL5434283 0.91 CRHR1 (0.68) CRHR1SCN9A
SCHEMBL5438230 0.87 CRHR1 (0.64) CRHR1SCN9A
SCHEMBL5437714 0.85 CRHR1 (0.60) CRHR1SCN9A
SCHEMBL4885535 0.84 CRHR1 (0.52) CRHR1SCN9A
SCHEMBL6205729 0.84 CRHR1 (0.55) CRHR1SCN9A
SCHEMBL5794036 0.82 CRHR1 (0.58) CRHR1SCN9A
SCHEMBL5434571 0.82 CRHR1 (0.55) CRHR1SCN9A
SCHEMBL5464166 0.82 CRHR1 (0.60) CRHR1SCN9A
SCHEMBL5435133 0.82 CRHR1 (0.60) CRHR1SCN9A
SCHEMBL5435300 0.82 CRHR1 (0.60) CRHR1SCN9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554258-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2005-07-20 EP claimed
US-20040106620-A1 5-Substituted-2-arylpyrazines NEUROGEN CORPORATION 2004-06-03 US claimed
WO-2004018437-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2004-03-04 WO claimed
US-20070043056-A1 5-Substituted-2-arylpyrazines NEUROGEN CORPORATION (US) 2007-02-22 US disclosed
US-20070043056-A1 5-Substituted-2-arylpyrazines NEUROGEN CORPORATION (US) 2007-02-22 US disclosed
US-20070043056-A1 5-Substituted-2-arylpyrazines NEUROGEN CORPORATION (US) 2007-02-22 US disclosed
US-7179807-B2 5-substituted-2-arylpyrazines NEUROGEN CORPORATION (US) 2007-02-20 US disclosed
US-7179807-B2 5-substituted-2-arylpyrazines NEUROGEN CORPORATION (US) 2007-02-20 US disclosed
US-7179807-B2 5-substituted-2-arylpyrazines NEUROGEN CORPORATION (US) 2007-02-20 US 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 (2 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-20040106620-A1 5-Substituted-2-arylpyrazines HTR5A, CRHR2, HTR2C CRHR1 5/4885SCN9A 4684/4885
US-20070043056-A1 5-Substituted-2-arylpyrazines HTR5A, CRHR2, HTR2C CRHR1 5/4885SCN9A 4684/4885

“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.