SCHEMBL5805753

SCHEMBL5805753

Cc1cc(C2CCN(CCN(C)C(=O)OC(C)(C)C)CC2)cc([N+](=O)[O-])c1N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.39
HTR4 Q13639 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
THRB P10828 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL5806757 0.87 HRH3 (0.41) SIGMAR1HTR4HRH3ADRA2AADRA2B
SCHEMBL5805764 0.87 HRH3 (0.39) HTR4HRH3
SCHEMBL5805777 0.86 SIGMAR1 (0.41) SIGMAR1HRH3ADRA2AADRA2BADRA2C
SCHEMBL4564154 0.81 HRH3 (0.43) HTR4HRH3
SCHEMBL14012694 0.77 HRH3 (0.47) SIGMAR1HRH3
SCHEMBL5805849 0.77 HRH3 (0.45) HTR4HRH3
SCHEMBL14012682 0.76 HRH3 (0.46) SIGMAR1HRH3
SCHEMBL5809765 0.72 HRH3 (0.45) SIGMAR1HRH3
SCHEMBL5805892 0.69 LSS (0.36) SIGMAR1HRH3
SCHEMBL24582246 0.68 MAPT (0.46) THRBKDM4EMAPTHTTALDH1A1

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
WO-2006113458-A1 HETEROCYCLIC INHIBITORS OF PROTEIN ARGININE METHYL TRANSFERASES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-26 WO disclosed
US-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases BRISTOL-MYERS SQUIBB COMPANY 2006-10-19 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-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases PRMT1, PRMT3, PRMT8 SIGMAR1 4801/4885HTR4 4765/4885HRH3 1590/4885

“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.