SCHEMBL6287092

SCHEMBL6287092

CCc1nc(-c2ccc(OC)cc2OC)c(CC)nc1-c1cc(C)ccc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.59
ADORA3 P0DMS8 2/20 0.42
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
CACNA2D1 P54289 1/20 0.40
GLA P06280 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP4B1 P13584 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP3A5 P20815 1/20 0.39
CYP2A7 P20853 1/20 0.39
CYP3A7 P24462 1/20 0.39
CYP2F1 P24903 1/20 0.39
CYP2C18 P33260 1/20 0.39

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
SCHEMBL6283374 0.88 CRHR1 (0.71) CRHR1ADORA3CYP1A1CYP1B1CYP1A2
SCHEMBL6281208 0.86 CRHR1 (0.60) CRHR1CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL6284889 0.85 CRHR1 (0.59) CRHR1ADORA3CYP1A1CYP1B1CACNA2D1
SCHEMBL6287127 0.83 CRHR1 (0.60) CRHR1ADORA3CYP1A1CYP1B1CACNA2D1
SCHEMBL6286536 0.82 CRHR1 (0.57) CRHR1ADORA3CYP1A1CYP1B1CYP1A2
SCHEMBL6346153 0.82 CRHR1 (0.65) CRHR1ADORA3CYP1A1CYP1B1CYP1A2
SCHEMBL6285778 0.82 CRHR1 (0.59) CRHR1CYP1A1CYP1B1CACNA2D1CYP1A2
SCHEMBL6281216 0.81 CRHR1 (0.58) CRHR1ADORA3CYP1A1CYP1B1CACNA2D1
SCHEMBL5412011 0.80 CRHR1 (0.66) CRHR1ADORA3CYP1A1CYP1B1CYP1A2
SCHEMBL5412053 0.80 CRHR1 (0.62) CRHR1ADORA3CYP1A1CYP1B1CACNA2D1

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 10 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 claimed
JP-2005500286-A 2005-01-06 JP claimed
EP-1399428-A1 2,5-DIARYLPYRAZINES, 2,5-DIARYLPYRIDINES AND 2,5-DIARYLPYRIMIDINES AS CRF1 RECEPTOR MODULATORS Neurogen Corporation (US) 2004-03-24 EP claimed
US-20030119844-A1 2,5-diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylpyrimidines NEUROGEN CORPORATION 2003-06-26 US claimed
WO-2002100838-A1 2,5-DIARYLPYRAZINES, 2,5-DIARYLPYRIDINES AND 2,5-DIARYLPYRIMIDINES AS CRF1 RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2002-12-19 WO claimed
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 488/4885CYP1A1 1960/4885
US-20050176721-A1 2,5-Diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylprimidines CRHR2, CRHR1, CRH CRHR1 2/4885ADORA3 560/4885CYP1A1 2079/4885

“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.