SCHEMBL1231978

SCHEMBL1231978

CC(C)(CNc1c([N+](=O)[O-])cnc2ccccc12)NS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
MAOA P21397 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADORA2A P29274 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
PDE4D Q08499 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL3862164 0.87 CSF1R (0.41)
SCHEMBL14345152 0.85 MEN1 (0.43) GRM5CHRM2CHRM1DRD2ADRA2B
SCHEMBL1486475 0.83 AR (0.42) MAPTSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL1043132 0.82 MEN1 (0.41) GRM5CHRM2CHRM1DRD2ADRA2B
SCHEMBL29481131 0.82 SMN1; SMN2 (0.41) GRM5CHRM2CHRM1DRD2ADRA2B
SCHEMBL1490855 0.82 SMN1; SMN2 (0.41) GRM5CHRM2CHRM1DRD2ADRA2B
SCHEMBL5794757 0.82 MEN1 (0.41) GRM5CHRM2CHRM1DRD2ADRA2B
SCHEMBL4313344 0.81 MAPT (0.40) GRM5CHRM2CHRM1DRD2ADRA2B
SCHEMBL1233564 0.81 GRM5 (0.40) GRM5MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL30361640 0.81 MAPT (0.40) GRM5CHRM2CHRM1DRD2ADRA2B

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-7888349-B2 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 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-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds IL4, IL2, IL5 GRM5 89/4885CHRM2 2529/4885CHRM1 951/4885

“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.