SCHEMBL4884766

SCHEMBL4884766

CCC(CC)Oc1cnc(-c2ccc(OC(F)(F)F)cc2OC)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.51
RUNX1 Q01196 1/20 0.43
CYP1A2 P05177 3/20 0.39
CTSA P10619 2/20 0.37
SCN9A Q15858 1/20 0.37
GPR3 P46089 1/20 0.36
GRIN2B Q13224 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
SCHEMBL5439627 0.83 CRHR1 (0.56) CRHR1RUNX1CTSASCN9AGRIN2B
SCHEMBL6609362 0.83 CRHR1 (0.46) CRHR1RUNX1CYP1A2SCN9AGPR3
SCHEMBL4885535 0.82 CRHR1 (0.52) CRHR1RUNX1SCN9AGPR3
SCHEMBL4882896 0.82 CRHR1 (0.60) CRHR1SCN9A
SCHEMBL4885196 0.81 CRHR1 (0.60) CRHR1RUNX1SCN9A
SCHEMBL5434283 0.80 CRHR1 (0.68) CRHR1SCN9A
SCHEMBL4884652 0.79 CRHR1 (0.46) CRHR1RUNX1CYP1A2CTSASCN9A
SCHEMBL4878160 0.79 CRHR1 (0.53) CRHR1RUNX1CTSASCN9AGPR3
SCHEMBL4878173 0.79 CRHR1 (0.55) CRHR1RUNX1CTSASCN9AGRIN2B
SCHEMBL5445901 0.79 CRHR1 (0.62) 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
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 5/4885RUNX1 1770/4885CYP1A2 2537/4885
US-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C CRHR1 2/4885RUNX1 2949/4885CYP1A2 2381/4885

“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.