SCHEMBL4881349

SCHEMBL4881349

CCC(CC)Oc1cc(C)c(-c2ccc(OC(F)(F)F)cc2OC)[n+]([O-])c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.43
GRIN2B Q13224 1/20 0.34
CYP1A2 P05177 2/20 0.33
CTSA P10619 1/20 0.33
SCN9A Q15858 1/20 0.33
GPR3 P46089 2/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
CHRM5 P08912 2/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL4881385 0.86 CRHR1 (0.40) CRHR1CTSASCN9A
SCHEMBL6603350 0.82 FFAR4 (0.38) CRHR1CTSASCN9ALMNAFFAR4
SCHEMBL4884766 0.77 CRHR1 (0.51) CRHR1GRIN2BCYP1A2CTSASCN9A
SCHEMBL6347201 0.77 SCN9A (0.37) CRHR1SCN9AGPR3LMNANPSR1
SCHEMBL6615527 0.76 CRHR1 (0.41) CRHR1GRIN2BCTSASCN9AGPR3
SCHEMBL4882896 0.72 CRHR1 (0.60) CRHR1SCN9A
SCHEMBL4885535 0.72 CRHR1 (0.52) CRHR1SCN9AGPR3
SCHEMBL4885196 0.71 CRHR1 (0.60) CRHR1SCN9A
SCHEMBL5434283 0.69 CRHR1 (0.68) CRHR1SCN9A
SCHEMBL4878160 0.69 CRHR1 (0.53) CRHR1GRIN2BCTSASCN9AGPR3

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 5 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-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 5/4885GRIN2B 183/4885CYP1A2 2537/4885
US-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C CRHR1 2/4885GRIN2B 228/4885CYP1A2 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.