SCHEMBL6356902

SCHEMBL6356902

CCCC(=O)Nc1cc(C)c(-c2ccc(OC(F)(F)F)cc2OC)nc1OC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.52
ADORA3 P0DMS8 4/20 0.50
GSK3B P49841 1/20 0.41
ADORA1 P30542 1/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SCN9A Q15858 1/20 0.39
CSNK1D P48730 2/20 0.38
KDR P35968 1/20 0.38
GRM7 Q14831 1/20 0.38

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
SCHEMBL4879256 0.92 CRHR1 (0.54) CRHR1ADORA3ALDH1A1SCN9ACSNK1D
SCHEMBL4882797 0.85 CRHR1 (0.56) CRHR1ADORA3SCN9A
SCHEMBL6347606 0.81 CRHR1 (0.54) CRHR1ADORA3LMNASCN9AGRM7
SCHEMBL6343532 0.81 CRHR1 (0.55) CRHR1SCN9A
SCHEMBL14183041 0.79 CRHR1 (0.56) CRHR1ADORA3SCN9A
SCHEMBL4881314 0.76 CRHR1 (0.49) CRHR1ADORA3LMNASCN9A
SCHEMBL6602770 0.75 CRHR1 (0.54) CRHR1SCN9AGRM7
SCHEMBL4881389 0.75 CRHR1 (0.54) CRHR1
SCHEMBL4878756 0.75 CRHR1 (0.55) CRHR1ADORA3ADORA1LMNAALDH1A1
SCHEMBL4882896 0.74 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050176721-A1 2,5-Diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylprimidines HUANG JIANHUA (US) 2005-08-11 US disclosed
US-6887875-B2 Bind with high selectivity and/ or high affinity to CRF1 receptors (Corticotropin Releasing Factor 1 Receptors), useful for treating psychiatric and neurological diseases, including depression, anxiety and post trauma stress NEUROGEN CORPORATION (US) 2005-05-03 US disclosed
EP-1399428-A1 2,5-DIARYLPYRAZINES, 2,5-DIARYLPYRIDINES AND 2,5-DIARYLPYRIMIDINES AS CRF1 RECEPTOR MODULATORS Neurogen Corporation (US) 2004-03-24 EP disclosed
US-20030119844-A1 2,5-diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylpyrimidines NEUROGEN CORPORATION 2003-06-26 US disclosed
WO-2002100838-A1 2,5-DIARYLPYRAZINES, 2,5-DIARYLPYRIDINES AND 2,5-DIARYLPYRIMIDINES AS CRF1 RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2002-12-19 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 (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-20030119844-A1 2,5-diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylpyrimidines CRHR2, CRHR1, CRH CRHR1 2/4885ADORA3 488/4885GSK3B 4414/4885
US-20050176721-A1 2,5-Diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylprimidines CRHR2, CRHR1, CRH CRHR1 2/4885ADORA3 560/4885GSK3B 4496/4885

“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.