SCHEMBL5752291

SCHEMBL5752291

C#Cc1nc(-c2ccc(OC(F)(F)F)cc2OC)c(C)cc1N[C@@H](C)COC

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.47
SCN9A Q15858 1/20 0.34
P2RX7 Q99572 7/20 0.33
GPR3 P46089 1/20 0.33
RUNX1 Q01196 1/20 0.32
CTSA P10619 1/20 0.32

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
SCHEMBL5747855 0.87 CRHR1 (0.49) CRHR1SCN9AP2RX7RUNX1CTSA
SCHEMBL5752296 0.84 CRHR1 (0.44) CRHR1SCN9AP2RX7GPR3RUNX1
SCHEMBL5749486 0.78 CRHR1 (0.48) CRHR1SCN9AGPR3RUNX1CTSA
SCHEMBL4882797 0.72 CRHR1 (0.56) CRHR1SCN9AP2RX7
SCHEMBL5747859 0.72 CRHR1 (0.47) CRHR1SCN9AP2RX7RUNX1CTSA
SCHEMBL14183041 0.71 CRHR1 (0.56) CRHR1SCN9AP2RX7
SCHEMBL6343532 0.71 CRHR1 (0.55) CRHR1SCN9AP2RX7GPR3RUNX1
SCHEMBL5429843 0.71 CRHR1 (0.44) CRHR1SCN9AP2RX7RUNX1
SCHEMBL6080603 0.71 CRHR1 (0.44) CRHR1SCN9AP2RX7RUNX1
SCHEMBL5428646 0.71 CRHR1 (0.44) CRHR1SCN9ARUNX1CTSA

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 1/4885SCN9A 4767/4885P2RX7 43/4885
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands CRHR1, CRHR2, HTR5A CRHR1 1/4885SCN9A 4767/4885P2RX7 43/4885

“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.