SCHEMBL4885196

SCHEMBL4885196

CCc1nc(-c2ccc(OC(F)(F)F)cc2OC)c(C)cc1OC(CC)CC

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 17/20 0.60
SCN9A Q15858 1/20 0.36
RUNX1 Q01196 1/20 0.35

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
SCHEMBL4878160 0.92 CRHR1 (0.53) CRHR1SCN9ARUNX1
SCHEMBL4882896 0.91 CRHR1 (0.60) CRHR1SCN9A
SCHEMBL4883920 0.90 CRHR1 (0.60) CRHR1SCN9A
SCHEMBL4885535 0.88 CRHR1 (0.52) CRHR1SCN9ARUNX1
SCHEMBL4878173 0.86 CRHR1 (0.55) CRHR1SCN9ARUNX1
SCHEMBL5414310 0.83 CRHR1 (0.69) CRHR1
SCHEMBL4882817 0.83 CRHR1 (0.59) CRHR1SCN9ARUNX1
SCHEMBL6607143 0.82 CRHR1 (0.54) CRHR1SCN9ARUNX1
SCHEMBL4883894 0.81 CRHR1 (0.54) CRHR1SCN9ARUNX1
SCHEMBL4884766 0.81 CRHR1 (0.51) CRHR1SCN9ARUNX1

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
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
EP-1392302-A1 5-SUBSTITUTED-2-ARYLPYRIDINES AS CRF1 MODULATORS NEUROGEN CORPORATION (US) 2004-03-03 EP disclosed
US-20030152520-A1 5-Substituted-2-arylpyridines NEUROGEN CORPORATION 2003-08-14 US disclosed
WO-2002096421-A1 5-SUBSTITUTED-2-ARYLPYRIDINES AS CRF1 MODULATORS NEUROGEN CORPORATION (US) 2002-12-05 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-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.