SCHEMBL5783443

SCHEMBL5783443

COc1ccc(-c2nc(C)c(N[C@@H]3c4ccccc4C[C@@H]3OC(C)=O)n(C)c2=O)c(OC)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.41
BRD9 Q9H8M2 2/20 0.36
BRD7 Q9NPI1 2/20 0.36
FFAR2 O15552 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NTRK1 P04629 5/20 0.32
CASR P41180 1/20 0.32
PDE10A Q9Y233 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
MAPK1 P28482 1/20 0.30
PLAU P00749 1/20 0.30

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
SCHEMBL5783440 1.00 CRHR1 (0.41) CRHR1BRD9BRD7FFAR2CYP3A4
SCHEMBL6498553 1.00 CRHR1 (0.41) CRHR1BRD9BRD7FFAR2CYP3A4
SCHEMBL5782599 0.94 CRHR1 (0.41) CRHR1BRD9BRD7CYP3A4CYP2C9
SCHEMBL6503845 0.94 CRHR1 (0.41) CRHR1BRD9BRD7CYP3A4CYP2C9
SCHEMBL5782595 0.94 CRHR1 (0.41) CRHR1BRD9BRD7CYP3A4CYP2C9
SCHEMBL5803656 0.90 CRHR1 (0.47) CRHR1BRD9BRD7
SCHEMBL6500137 0.90 CRHR1 (0.47) CRHR1BRD9BRD7
SCHEMBL5803652 0.90 CRHR1 (0.47) CRHR1BRD9BRD7
SCHEMBL5782157 0.90 CRHR1 (0.43) CRHR1BRD9BRD7FFAR2NTRK1
SCHEMBL6499773 0.90 CRHR1 (0.43) CRHR1BRD9BRD7FFAR2NTRK1

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-20050020601-A1 Novel pyrazinones as CRF1 receptor antagonists PFIZER INC 2005-01-27 US claimed
EP-1626965-A1 PYRAZINONES AS CRF1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS Pharmacia & Upjohn Company LLC (US) 2006-02-22 EP disclosed
US-20050020601-A1 Novel pyrazinones as CRF1 receptor antagonists PFIZER INC 2005-01-27 US disclosed
WO-2004099161-A1 PYRAZINONES AS CRF1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-11-18 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 (1 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-20050020601-A1 Novel pyrazinones as CRF1 receptor antagonists CRHR1, CRHR2, CRH CRHR1 1/4885BRD9 3792/4885BRD7 3101/4885

“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.