SCHEMBL6083009

SCHEMBL6083009

CC[C@H](COC)Nc1nccc(-c2cc(F)c(OC)cc2C)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
SCN9A Q15858 1/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
S1PR4 O95977 1/20 0.32
HTT P42858 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
SCHEMBL6083017 1.00 CRHR1 (0.35) CRHR1MEN1KMT2AALDH1A1CCNT1
SCHEMBL6082318 0.90 CRHR1 (0.41) CRHR1SCN9AS1PR4
SCHEMBL6083500 0.89 CRHR1 (0.36) CRHR1MEN1KMT2AALDH1A1MAPT
SCHEMBL6082688 0.84 IDO1 (0.35) CCNT1CDK9
SCHEMBL6081913 0.84 IDO1 (0.35) CCNT1CDK9
SCHEMBL6082363 0.84 PIK3CA (0.37) CRHR1SCN9A
SCHEMBL6082375 0.83 CRHR1 (0.44) CRHR1MAPTTDP1KDM4EMAPK1
SCHEMBL6818841 0.81 MAPT (0.40) ALDH1A1CCNT1CDK9MAPTKDM4E
SCHEMBL6082450 0.79 CRHR1 (0.36) CRHR1SCN9A
SCHEMBL6082998 0.77 CRHR1 (0.49) 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 1/4885MEN1 1412/4885KMT2A 3447/4885

“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.