SCHEMBL6506331

SCHEMBL6506331

COc1ccc(-c2nc(C)c(NC3c4ccccc4CC3OC(C)=O)n(C)c2=O)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.39
MAOB P27338 1/20 0.35
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
NPBWR1 P48145 2/20 0.35
CNR1 P21554 5/20 0.34
CNR2 P34972 3/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
BTK Q06187 1/20 0.32
NTRK1 P04629 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL5782159 1.00 CRHR1 (0.39) CRHR1MAOBGABRA1GABRB2NPBWR1
SCHEMBL5782164 1.00 CRHR1 (0.39) CRHR1MAOBGABRA1GABRB2NPBWR1
SCHEMBL5800112 0.91 CRHR1 (0.40) CRHR1GABRA1CNR1CNR2
SCHEMBL6500617 0.91 CRHR1 (0.40) CRHR1GABRA1CNR1CNR2
SCHEMBL6500624 0.91 CRHR1 (0.40) CRHR1GABRA1CNR1CNR2
SCHEMBL5786221 0.90 CRHR1 (0.44) CRHR1GABRA1GABRB2NPBWR1MTNR1A
SCHEMBL6503015 0.90 CRHR1 (0.44) CRHR1GABRA1GABRB2NPBWR1MTNR1A
SCHEMBL6500940 0.90 CRHR1 (0.41) CRHR1MAOBGABRA1GABRB2NPBWR1
SCHEMBL5786218 0.90 CRHR1 (0.44) CRHR1GABRA1GABRB2NPBWR1MTNR1A
SCHEMBL5783841 0.90 CRHR1 (0.41) CRHR1MAOBGABRA1GABRB2NPBWR1

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 2 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
US-20050020601-A1 Novel pyrazinones as CRF1 receptor antagonists PFIZER INC 2005-01-27 US 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 631/4885GABRA1 215/4885

“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.