SCHEMBL4881928

SCHEMBL4881928

CCc1nc(-c2ccc(OC(F)(F)F)cc2OC)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.54
TXNRD1 Q16881 1/20 0.42
SCN9A Q15858 1/20 0.41
EIF4E P06730 1/20 0.35
RUNX1 Q01196 1/20 0.35
CSNK1D P48730 2/20 0.35
S1PR1 P21453 1/20 0.35
CHRM5 P08912 1/20 0.34

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
SCHEMBL6348992 0.89 CRHR1 (0.51) CRHR1TXNRD1SCN9AEIF4ERUNX1
SCHEMBL4628330 0.85 CRHR1 (0.43) CRHR1TXNRD1SCN9AEIF4ERUNX1
SCHEMBL4628316 0.85 CRHR1 (0.43) CRHR1TXNRD1SCN9AEIF4ERUNX1
SCHEMBL14183023 0.82 CRHR1 (0.49) CRHR1TXNRD1SCN9ARUNX1CSNK1D
SCHEMBL4628946 0.82 CRHR1 (0.41) CRHR1TXNRD1SCN9AEIF4ERUNX1
SCHEMBL4882817 0.82 CRHR1 (0.59) CRHR1SCN9ARUNX1CHRM5
SCHEMBL4885439 0.79 CRHR1 (0.56) CRHR1RUNX1
SCHEMBL4885196 0.78 CRHR1 (0.60) CRHR1SCN9ARUNX1
SCHEMBL14183041 0.78 CRHR1 (0.56) CRHR1SCN9A
SCHEMBL4884829 0.78 CRHR1 (0.54) CRHR1

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 5/4885TXNRD1 465/4885SCN9A 3544/4885
US-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C CRHR1 2/4885TXNRD1 572/4885SCN9A 3903/4885

“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.