SCHEMBL6082998

SCHEMBL6082998

CCC(COC)Nc1nccc(-c2ccc(Cl)cc2Cl)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.49

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
SCHEMBL6082105 0.91 CRHR1 (0.46) CRHR1
SCHEMBL6082141 0.88 LMNA (0.41) CRHR1
SCHEMBL6083177 0.88 CRHR1 (0.39) CRHR1
SCHEMBL6082318 0.84 CRHR1 (0.41) CRHR1
SCHEMBL6082392 0.84 CRHR1 (0.36) CRHR1
SCHEMBL6082397 0.84 CRHR1 (0.36) CRHR1
SCHEMBL6082203 0.84 CRHR1 (0.52) CRHR1
SCHEMBL6083500 0.83 CRHR1 (0.36) CRHR1
SCHEMBL6082450 0.83 CRHR1 (0.36) CRHR1
SCHEMBL6082375 0.82 CRHR1 (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067658-B2 Pyridino and pyrimidino pyrazinones BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-27 US disclosed
US-20040082784-A1 Pyridino and pyrimidino pyrazinones BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-29 US disclosed
WO-2004031189-A1 PYRIDINO AND PYRIMIDINO PYRAZINONES FOR TREATMENT OF ANXIETY AND DEPRESSION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2004-04-15 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-20040082784-A1 Pyridino and pyrimidino pyrazinones CRHR1, CRHR2, CRH CRHR1 1/4885

“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.