SCHEMBL6503845

SCHEMBL6503845

COc1ccc(-c2nc(C)c(NC3c4ccccc4CC3OC(C)=O)n(C)c2=O)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.41
APLNR P35414 1/20 0.33
NTRK1 P04629 3/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
BRD9 Q9H8M2 1/20 0.31
BRD7 Q9NPI1 1/20 0.31
IDH1 O75874 1/20 0.31
P2RX7 Q99572 1/20 0.31
MAOB P27338 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
SCHEMBL5782599 1.00 CRHR1 (0.41) CRHR1APLNRNTRK1CYP3A4CYP2C9
SCHEMBL5782595 1.00 CRHR1 (0.41) CRHR1APLNRNTRK1CYP3A4CYP2C9
SCHEMBL5783440 0.94 CRHR1 (0.41) CRHR1NTRK1CYP3A4CYP2C9GABRA1
SCHEMBL5783443 0.94 CRHR1 (0.41) CRHR1NTRK1CYP3A4CYP2C9GABRA1
SCHEMBL6498553 0.94 CRHR1 (0.41) CRHR1NTRK1CYP3A4CYP2C9GABRA1
SCHEMBL5786366 0.91 CRHR1 (0.47) CRHR1APLNR
SCHEMBL6500277 0.91 CRHR1 (0.47) CRHR1APLNR
SCHEMBL5786371 0.91 CRHR1 (0.47) CRHR1APLNR
SCHEMBL5785202 0.90 CRHR1 (0.42) CRHR1APLNRNTRK1GABRA1GABRB2
SCHEMBL6498303 0.90 CRHR1 (0.42) CRHR1APLNRNTRK1GABRA1GABRB2

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 1/4885APLNR 348/4885NTRK1 433/4885

“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.