SCHEMBL4878173

SCHEMBL4878173

CCC(CC)Oc1cc(C)c(-c2ccc(OC(F)(F)F)cc2OC)nc1NC

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.55
SCN9A Q15858 1/20 0.37
RUNX1 Q01196 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CTSA P10619 1/20 0.34
GRIN2B Q13224 1/20 0.33

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
SCHEMBL4885535 0.87 CRHR1 (0.52) CRHR1SCN9ARUNX1
SCHEMBL4882896 0.87 CRHR1 (0.60) CRHR1SCN9A
SCHEMBL4885196 0.86 CRHR1 (0.60) CRHR1SCN9ARUNX1
SCHEMBL5438230 0.85 CRHR1 (0.64) CRHR1SCN9A
SCHEMBL4878160 0.84 CRHR1 (0.53) CRHR1SCN9ARUNX1CTSAGRIN2B
SCHEMBL6604201 0.83 CRHR1 (0.49) CRHR1SCN9ARUNX1
SCHEMBL5439514 0.82 CRHR1 (0.53) CRHR1SCN9ARUNX1ADORA3CTSA
SCHEMBL5441669 0.80 CRHR1 (0.65) CRHR1SCN9A
SCHEMBL5435133 0.80 CRHR1 (0.60) CRHR1SCN9A
SCHEMBL5464166 0.80 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
US-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
US-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
US-7223778-B2 5-substituted-2-arylpyridines NEUROGEN CORPORATION (US) 2007-05-29 US disclosed
US-7223778-B2 5-substituted-2-arylpyridines NEUROGEN CORPORATION (US) 2007-05-29 US disclosed
US-7223778-B2 5-substituted-2-arylpyridines NEUROGEN CORPORATION (US) 2007-05-29 US disclosed
US-20030152520-A1 5-Substituted-2-arylpyridines NEUROGEN CORPORATION 2003-08-14 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-20030152520-A1 5-Substituted-2-arylpyridines HTR5A, CRHR2, HTR2C CRHR1 5/4885SCN9A 3544/4885RUNX1 1770/4885
US-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C CRHR1 2/4885SCN9A 3903/4885RUNX1 2949/4885

“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.