SCHEMBL5804121

SCHEMBL5804121

CC[C@@H](CO[Si](C)(C)C(C)(C)C)Nc1cnc(-c2ccc(OC(F)(F)F)cc2OC)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.51
RUNX1 Q01196 1/20 0.34
ALPL P05186 2/20 0.34
SCN9A Q15858 1/20 0.33
CYP1A2 P05177 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL5749486 0.80 CRHR1 (0.48) CRHR1RUNX1ALPLSCN9A
SCHEMBL6081651 0.78 CRHR1 (0.47) CRHR1RUNX1ALPLSCN9ACYP1A2
SCHEMBL5804119 0.77 CRHR1 (0.46) CRHR1RUNX1ALPLSCN9ACYP1A2
SCHEMBL6344985 0.76 CRHR1 (0.47) CRHR1RUNX1ALPLSCN9A
SCHEMBL4884766 0.76 CRHR1 (0.51) CRHR1RUNX1SCN9ACYP1A2
SCHEMBL5431714 0.73 CRHR1 (0.69) CRHR1RUNX1SCN9A
SCHEMBL5783224 0.73 CRHR1 (0.43) CRHR1SCN9ACYP1A2
SCHEMBL5420406 0.71 CRHR1 (0.68) CRHR1RUNX1SCN9A
SCHEMBL4884652 0.71 CRHR1 (0.46) CRHR1RUNX1SCN9ACYP1A2
SCHEMBL6081645 0.70 CRHR1 (0.41) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060199823-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands NEUROGEN CORPORATION (US) 2006-09-07 US disclosed
EP-1680424-A2 HETEROARYL FUSED PYRIDINES, PYRAZINES AND PYRIMIDINES AS CRF1 RECEPTOR LIGANDS Neurogen Corporation (US) 2006-07-19 EP disclosed
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands AVENTIS PHARMACEUTICALS, INC. 2005-05-26 US disclosed
WO-2005023806-A2 HETEROARYL FUSED PYRIDINES, PYRAZINES AND PYRIMIDINES AS CRF1 RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-03-17 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-20060199823-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands CRHR1, CRHR2, HTR5A CRHR1 1/4885RUNX1 1387/4885ALPL 4598/4885
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands CRHR1, CRHR2, HTR5A CRHR1 1/4885RUNX1 1387/4885ALPL 4598/4885

“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.