SCHEMBL4280153

SCHEMBL4280153

CC(C)(C)OC(=O)N1CCCC(Oc2cc(F)cc([N+](=O)[O-])c2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
GPR119 Q8TDV5 2/20 0.41
CYP1A2 P05177 1/20 0.41
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
USP30 Q70CQ3 2/20 0.41
PDE4B Q07343 1/20 0.41
SCN9A Q15858 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
PIK3CD O00329 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BTK Q06187 1/20 0.37

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
SCHEMBL4280149 1.00 CHEK2 (0.45) CHEK2ALDH1A1MAPTLMNAGPR119
SCHEMBL4278826 0.94 GPR119 (0.45) ALDH1A1MAPTLMNAGPR119USP30
SCHEMBL14145409 0.94 GPR119 (0.45) ALDH1A1MAPTLMNAGPR119USP30
SCHEMBL4279509 0.86 CYP1A2 (0.53) CHEK2ALDH1A1CYP1A2
SCHEMBL4279512 0.86 CYP1A2 (0.53) CHEK2ALDH1A1CYP1A2
SCHEMBL595081 0.84 ALDH1A1 (0.55) CHEK2ALDH1A1MAPTLMNAGPR119
SCHEMBL4275398 0.84 CHEK2 (0.52) CHEK2ALDH1A1MAPTGPR119CYP1A2
SCHEMBL4275394 0.84 CHEK2 (0.52) CHEK2ALDH1A1MAPTGPR119CYP1A2
SCHEMBL31233745 0.82 USP30 (0.45) ALDH1A1MAPTLMNAGPR119USP30
SCHEMBL29116484 0.82 USP30 (0.45) ALDH1A1MAPTLMNAGPR119USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 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 (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-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 CHEK2 2839/4885ALDH1A1 4359/4885MAPT 630/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 CHEK2 2628/4885ALDH1A1 4381/4885MAPT 663/4885

“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.