SCHEMBL5782467

SCHEMBL5782467

CC(=O)O[C@H]1Cc2ccccc2[C@@H]1Nc1c(C)nc(-c2ccc(N(C)C)cc2Cl)c(=O)n1C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.39
CNR1 P21554 9/20 0.33
CNR2 P34972 6/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
SMO Q99835 1/20 0.31

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
SCHEMBL6506023 1.00 CRHR1 (0.39) CRHR1CNR1CNR2CYP3A4CYP2C9
SCHEMBL5782469 1.00 CRHR1 (0.39) CRHR1CNR1CNR2CYP3A4CYP2C9
SCHEMBL5800112 0.91 CRHR1 (0.40) CRHR1CNR1CNR2
SCHEMBL6500617 0.91 CRHR1 (0.40) CRHR1CNR1CNR2
SCHEMBL6500624 0.91 CRHR1 (0.40) CRHR1CNR1CNR2
SCHEMBL6498272 0.90 CRHR1 (0.40) CRHR1CNR1CNR2
SCHEMBL5782271 0.90 CRHR1 (0.40) CRHR1CNR1CNR2
SCHEMBL6506446 0.90 CRHR1 (0.43) CRHR1
SCHEMBL5784008 0.90 CRHR1 (0.43) CRHR1
SCHEMBL5784003 0.90 CRHR1 (0.43) CRHR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626965-A1 PYRAZINONES AS CRF1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS Pharmacia & Upjohn Company LLC (US) 2006-02-22 EP claimed
US-20050020601-A1 Novel pyrazinones as CRF1 receptor antagonists PFIZER INC 2005-01-27 US claimed
WO-2004099161-A1 PYRAZINONES AS CRF1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-11-18 WO 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 1/4885CNR1 12/4885CNR2 42/4885

“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.