SCHEMBL5801632

SCHEMBL5801632

CCc1nc(-c2ccc(OC)cc2OC)c(=O)n(C)c1N[C@H]1c2ccccc2C[C@@H]1OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.44
MAOB P27338 1/20 0.38
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CYP1A1 P04798 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
NR4A2 P43354 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
FFAR2 O15552 1/20 0.33
ADRA1B P35368 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
SCHEMBL5801634 1.00 CRHR1 (0.44) CRHR1MAOBMTNR1AMTNR1BCYP1A1
SCHEMBL6503446 1.00 CRHR1 (0.44) CRHR1MAOBMTNR1AMTNR1BCYP1A1
SCHEMBL5782869 0.92 CRHR1 (0.46) CRHR1MAOBMTNR1AMTNR1BCYP1A1
SCHEMBL6503398 0.92 CRHR1 (0.46) CRHR1MAOBMTNR1AMTNR1BCYP1A1
SCHEMBL5782873 0.92 CRHR1 (0.46) CRHR1MAOBMTNR1AMTNR1BCYP1A1
SCHEMBL5786218 0.92 CRHR1 (0.44) CRHR1MTNR1AMTNR1BCYP1A1GABRA1
SCHEMBL5786221 0.92 CRHR1 (0.44) CRHR1MTNR1AMTNR1BCYP1A1GABRA1
SCHEMBL6503015 0.92 CRHR1 (0.44) CRHR1MTNR1AMTNR1BCYP1A1GABRA1
SCHEMBL6499498 0.90 CRHR1 (0.46) CRHR1NR4A2
SCHEMBL5786371 0.85 CRHR1 (0.47) 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 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 1/4885MAOB 631/4885MTNR1A 136/4885

“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.