SCHEMBL16203201

SCHEMBL16203201

CC1=C(C)C(c2ccccc2[N+](=O)[O-])C(C=O)=C(C)N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 4/20 0.54
CACNA1D Q01668 4/20 0.54
KMT2A Q03164 4/20 0.54
ADORA3 P0DMS8 3/20 0.54
CACNA1F O60840 3/20 0.54
CACNA1S Q13698 3/20 0.54
MAPT P10636 3/20 0.54
ABCC4 O15439 2/20 0.54
ABCB11 O95342 2/20 0.54
LMNA P02545 2/20 0.54
CYP1A2 P05177 2/20 0.54
ADORA2A P29274 2/20 0.54
ADORA1 P30542 2/20 0.54
OPRM1 P35372 2/20 0.54
SCN1A P35498 2/20 0.54
HTR2B P41595 2/20 0.54
KCNH2 Q12809 2/20 0.54
SCN5A Q14524 2/20 0.54
SCN2A Q99250 2/20 0.54
SCN3A Q9NY46 2/20 0.54

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
SCHEMBL12727534 0.93 CACNA1C (0.58) CACNA1CCACNA1DKMT2AADORA3CACNA1F
SCHEMBL16087942 0.91 CACNA1D (0.48) CACNA1CCACNA1DKMT2AADORA3CACNA1F
SCHEMBL13198586 0.87 CACNA1C (0.63) CACNA1CCACNA1DKMT2AADORA3CACNA1F
SCHEMBL18062192 0.78 CACNA1D (0.51) CACNA1CCACNA1DKMT2AADORA3CACNA1F
SCHEMBL11307558 0.77 ADORA3 (0.62) CACNA1CCACNA1DKMT2AADORA3CACNA1F
SCHEMBL12727530 0.76 CACNA1C (0.60) CACNA1CCACNA1DKMT2AADORA3CACNA1F
SCHEMBL7186400 0.75 KMT2A (0.44) CACNA1CCACNA1DKMT2AADORA3CACNA1F
SCHEMBL16089107 0.74 CACNA1C (0.58) CACNA1CCACNA1DKMT2AADORA3CACNA1F
SCHEMBL4608748 0.73 CACNA1C (0.73) CACNA1CCACNA1DKMT2AADORA3CACNA1F
SCHEMBL612520 0.73 CACNA1C (0.73) CACNA1CCACNA1DKMT2AADORA3CACNA1F

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-9132200-B2 Oligomer-calcium channel blocker conjugates NEKTAR THERAPEUTICS (US) 2015-09-15 US disclosed
US-20140323529-A1 OLIGOMER-CALCIUM CHANNEL BLOCKER CONJUGATES NEKTAR THERAPEUTICS (US) 2014-10-30 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-20140323529-A1 OLIGOMER-CALCIUM CHANNEL BLOCKER CONJUGATES ORAI1, CACNB2, CACNA1B CACNA1C 8/4885CACNA1D 18/4885KMT2A 3583/4885

“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.