SCHEMBL6082009

SCHEMBL6082009

CCCC(CCC)Nc1nccc(-c2ccc(OC)cc2Cl)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.42
CYP2D6 P10635 1/20 0.38
DRD1 P21728 1/20 0.38
HTR2A P28223 1/20 0.38
ADORA1 P30542 1/20 0.38
S1PR4 O95977 1/20 0.37
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.35

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 0.89 CRHR1 (0.46) CRHR1S1PR4
SCHEMBL6081726 0.84 S1PR4 (0.39) CRHR1S1PR4KDM4EMAPTMAPK1
SCHEMBL6082084 0.83 CRHR1 (0.38) CRHR1S1PR4KDM4EMAPTMAPK1
SCHEMBL6083042 0.82 CRHR1 (0.45) CRHR1CYP2D6DRD1HTR2AADORA1
SCHEMBL6817723 0.82 CRHR1 (0.38) CRHR1S1PR4KDM4EMAPTMAPK1
SCHEMBL6082472 0.81 CRHR1 (0.36) CRHR1S1PR4KDM4EMAPTMAPK1
SCHEMBL6818369 0.80 S1PR4 (0.37) CRHR1S1PR4KDM4EMAPTMAPK1
SCHEMBL6082998 0.80 CRHR1 (0.49) CRHR1
SCHEMBL6082337 0.79 CRHR1 (0.39) CRHR1
SCHEMBL6082375 0.78 CRHR1 (0.44) CRHR1KDM4EMAPTMAPK1TDP1

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 1/4885CYP2D6 1128/4885DRD1 155/4885

“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.