SCHEMBL5749486

SCHEMBL5749486

COC[C@H](C)Nc1cnc(-c2ccc(OC(F)(F)F)cc2OC)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.48
SCN9A Q15858 1/20 0.39
RUNX1 Q01196 1/20 0.38
ABL1 P00519 4/20 0.36
ALPL P05186 1/20 0.36
CTSA P10619 1/20 0.35
PDE10A Q9Y233 1/20 0.35
KCNH2 Q12809 1/20 0.34
DHODH Q02127 1/20 0.34
GRIN2B Q13224 1/20 0.33
GPR3 P46089 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
SCHEMBL6344985 0.82 CRHR1 (0.47) CRHR1SCN9ARUNX1ABL1ALPL
SCHEMBL5747855 0.81 CRHR1 (0.49) CRHR1SCN9ARUNX1CTSA
SCHEMBL5804121 0.80 CRHR1 (0.51) CRHR1SCN9ARUNX1ALPL
SCHEMBL5752291 0.78 CRHR1 (0.47) CRHR1SCN9ARUNX1CTSAGPR3
SCHEMBL6081651 0.78 CRHR1 (0.47) CRHR1SCN9ARUNX1ABL1ALPL
SCHEMBL5804119 0.77 CRHR1 (0.46) CRHR1SCN9ARUNX1ABL1ALPL
SCHEMBL4884766 0.77 CRHR1 (0.51) CRHR1SCN9ARUNX1CTSAGRIN2B
SCHEMBL4884652 0.76 CRHR1 (0.46) CRHR1SCN9ARUNX1ABL1CTSA
SCHEMBL6609362 0.75 CRHR1 (0.46) CRHR1SCN9ARUNX1GPR3
SCHEMBL6343330 0.72 SCN9A (0.43) CRHR1SCN9ARUNX1ABL1CTSA

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 4767/4885RUNX1 1387/4885
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands CRHR1, CRHR2, HTR5A CRHR1 1/4885SCN9A 4767/4885RUNX1 1387/4885

“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.