SCHEMBL4882797

SCHEMBL4882797

CCCNc1cc(C)c(-c2ccc(OC(F)(F)F)cc2OC)nc1OC

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.56
CHRNA7 P36544 1/20 0.39
SCN9A Q15858 1/20 0.38
P2RX7 Q99572 4/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL14183041 0.91 CRHR1 (0.56) CRHR1CHRNA7SCN9AP2RX7ADORA3
SCHEMBL6356902 0.85 CRHR1 (0.52) CRHR1SCN9AADORA3
SCHEMBL6343532 0.85 CRHR1 (0.55) CRHR1SCN9AP2RX7
SCHEMBL4879256 0.83 CRHR1 (0.54) CRHR1SCN9AADORA3
SCHEMBL5525581 0.81 CRHR1 (0.66) CRHR1CHRNA7SCN9A
SCHEMBL6602770 0.79 CRHR1 (0.54) CRHR1SCN9A
SCHEMBL4881389 0.79 CRHR1 (0.54) CRHR1
SCHEMBL6347606 0.79 CRHR1 (0.54) CRHR1SCN9AP2RX7ADORA3
SCHEMBL4878756 0.79 CRHR1 (0.55) CRHR1SCN9AADORA3
SCHEMBL4882896 0.78 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 5/4885CHRNA7 391/4885SCN9A 3544/4885
US-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C CRHR1 2/4885CHRNA7 401/4885SCN9A 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.