SCHEMBL5778979

SCHEMBL5778979

CC[C@@H](CN1CCCC1)n1cc(C)c2nc(-c3ccc(OC(F)(F)F)cc3OC)c(C)cc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.43
MCHR1 Q99705 1/20 0.34
TLR9 Q9NR96 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
TLR8 Q9NR97 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
HCRTR1 O43613 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
SCHEMBL6080856 0.99 CRHR1 (0.43) CRHR1MCHR1TLR9TLR7TLR8
SCHEMBL6081266 0.99 CRHR1 (0.43) CRHR1MCHR1TLR9TLR7TLR8
SCHEMBL6082161 0.94 CRHR1 (0.42) CRHR1PDE1APDE1BPDE1C
SCHEMBL5431322 0.94 CRHR1 (0.42) CRHR1
SCHEMBL6080964 0.93 CRHR1 (0.44) CRHR1TLR9TLR7
SCHEMBL6081770 0.92 CRHR1 (0.41) CRHR1PDE1APDE1BPDE1C
SCHEMBL6081673 0.91 CRHR1 (0.39) CRHR1HCRTR1
SCHEMBL5778772 0.90 CRHR1 (0.49) CRHR1PDE1APDE1BPDE1C
SCHEMBL6507897 0.88 CRHR1 (0.41) CRHR1
SCHEMBL5782147 0.88 CRHR1 (0.47) CRHR1PDE1APDE1BPDE1C

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-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands AVENTIS PHARMACEUTICALS, INC. 2005-05-26 US claimed
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 1/4885MCHR1 92/4885TLR9 3145/4885
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands CRHR1, CRHR2, HTR5A CRHR1 1/4885MCHR1 92/4885TLR9 3145/4885

“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.