SCHEMBL4881314

SCHEMBL4881314

CCCN(C(=O)CC)c1cc(C)c(-c2ccc(OC(F)(F)F)cc2OC)nc1OC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.49
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CTSA P10619 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
SCN9A Q15858 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
SCHEMBL4881389 0.86 CRHR1 (0.54) CRHR1
SCHEMBL4884829 0.79 CRHR1 (0.54) CRHR1
SCHEMBL4879256 0.77 CRHR1 (0.54) CRHR1MAPK1HSD17B10CTSAADORA3
SCHEMBL6356902 0.76 CRHR1 (0.52) CRHR1LMNAADORA3SCN9A
SCHEMBL4882797 0.76 CRHR1 (0.56) CRHR1ADORA3SCN9A
SCHEMBL4885439 0.75 CRHR1 (0.56) CRHR1
SCHEMBL6602770 0.74 CRHR1 (0.54) CRHR1CTSASCN9A
SCHEMBL6347606 0.74 CRHR1 (0.54) CRHR1LMNAMAPK1NPSR1HSD17B10
SCHEMBL4878756 0.74 CRHR1 (0.55) CRHR1LMNAMAPK1HSD17B10ADORA3
SCHEMBL4882896 0.73 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 8 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
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 5/4885L3MBTL1 4040/4885LMNA 639/4885
US-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C CRHR1 2/4885L3MBTL1 4265/4885LMNA 893/4885

“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.