SCHEMBL1638978

SCHEMBL1638978

CCCCOOC(=O)C1=C(C)NC(C)=C(C(=O)OOCCCC)C1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1D Q01668 6/20 0.66
▸ CACNA1C Q13936 5/20 0.66
▸ CACNA1F O60840 4/20 0.66
▸ CACNA1S Q13698 4/20 0.66
▸ ADORA3 P0DMS8 3/20 0.66
▸ ABCC4 O15439 2/20 0.66
▸ ABCB11 O95342 2/20 0.66
▸ LMNA P02545 2/20 0.66
▸ CYP1A2 P05177 2/20 0.66
▸ ADORA2A P29274 2/20 0.66
▸ ADORA1 P30542 2/20 0.66
▸ OPRM1 P35372 2/20 0.66
▸ SCN1A P35498 2/20 0.66
▸ HTR2B P41595 2/20 0.66
▸ KCNH2 Q12809 2/20 0.66
▸ SCN5A Q14524 2/20 0.66
▸ SCN2A Q99250 2/20 0.66
▸ SCN3A Q9NY46 2/20 0.66
▸ CACNA1B Q00975 2/20 0.66
▸ KDM4E B2RXH2 1/20 0.66

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
SCHEMBL1639970 0.96 CACNA1C (0.64) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL6720778 0.89 CACNA1C (0.69) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL6720781 0.85 CACNA1B (0.68) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL10909420 0.85 ADORA3 (0.77) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL6720786 0.85 CACNA1B (0.68) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL1639994 0.85 CACNA1C (0.81) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL10899664 0.85 CACNA1C (0.66) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL6727785 0.84 CACNA1D (0.72) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL11527403 0.83 CACNA1C (0.60) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL10901098 0.83 CACNA1C (0.66) CACNA1DCACNA1CCACNA1FCACNA1SADORA3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150335628-A1 OLIGOMER-CALCIUM CHANNEL BLOCKER CONJUGATES NEKTAR THERAPEUTICS 2015-11-26 — — US disclosed
US-8748648-B2 Oligomer-calcium channel blocker conjugates NEKTAR THERAPEUTICS (US) 2014-06-10 — — US disclosed
US-20110098273-A1 Oligomer-Calcium Channel Blocker Conjugates NEKTAR THERAPEUTICS (US) 2011-04-28 — — US disclosed
EP-2125027-A2 DE NOVO SYNTHESIS OF CONJUGATES Nektar Therapeutics (US) 2009-12-02 — — EP disclosed
WO-2009032286-A2 OLIGOMER-CALCIUM CHANNEL BLOCKER CONJUGATES NEKTAR THERAPEUTICS AL, CORPORATION (US) 2009-03-12 — — WO disclosed
WO-2008112286-A9 DE NOVO SYNTHESIS OF CONJUGATES NEKTAR THERAPEUTICS AL CORP (US) 2008-12-18 — — WO disclosed
WO-2008112286-A2 DE NOVO SYNTHESIS OF CONJUGATES NEKTAR THERAPEUTICS (US) 2008-09-18 — — 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 (2 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-20150335628-A1 OLIGOMER-CALCIUM CHANNEL BLOCKER CONJUGATES ORAI1, CACNB2, CACNA1B CACNA1D 18/4885CACNA1C 8/4885CACNA1F 13/4885
US-20110098273-A1 Oligomer-Calcium Channel Blocker Conjugates ORAI1, CACNB2, CACNA1B CACNA1D 18/4885CACNA1C 8/4885CACNA1F 13/4885

“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.

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