SCHEMBL6069451

SCHEMBL6069451

CC(C)(C)OC(=O)C1CNCCN1c1cc(Cl)nc(N2CCNCC2C(=O)OC(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.37
SCN9A Q15858 2/20 0.37
NOS2 P35228 1/20 0.37
HTR2C P28335 7/20 0.36
HTR2A P28223 4/20 0.36
HTR2B P41595 4/20 0.36
CASP3 P42574 1/20 0.34
ATR Q13535 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
LMNA P02545 1/20 0.33
ALOX5AP P20292 1/20 0.33
ROCK2 O75116 1/20 0.32
PARP1 P09874 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL6069866 0.87 FPR2 (0.39) FPR2SCN9AHTR2CHTR2AHTR2B
SCHEMBL27993761 0.85 HTR2A (0.38) HTR2CHTR2AHTR2BATRATRIP
SCHEMBL6069516 0.84 FPR2 (0.38) FPR2SCN9ACASP3ATRATRIP
SCHEMBL3300676 0.84 HTR2C (0.34) FPR2SCN9AHTR2CHTR2AHTR2B
SCHEMBL3298854 0.84 HTR2C (0.34) FPR2SCN9AHTR2CHTR2AHTR2B
SCHEMBL5637366 0.76 KDM4E (0.46) HTR2CACACBACACA
SCHEMBL15415761 0.75 GPR119 (0.34) FPR2SCN9ACASP3ATRATRIP
SCHEMBL27561229 0.74 SLC6A2 (0.44) HTR2CHTR2AHTR2B
SCHEMBL6992310 0.72 HTR2C (0.39) HTR2CHTR2AHTR2B
SCHEMBL7372558 0.72 MAPT (0.43) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6991902-B2 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. (US) 2006-01-31 US disclosed
US-6893815-B1 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. (US) 2005-05-17 US disclosed
US-20030003505-A1 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. 2003-01-02 US disclosed
US-20020009748-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION ISIS PHARMACEUTICALS, INC. 2002-01-24 US disclosed
WO-1999000669-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION ISIS PHARMACEUTICALS, INC. (US) 1999-01-07 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-20020009748-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION PNP, ATIC, DPYD FPR2 1148/4885SCN9A 3577/4885NOS2 2981/4885
US-20030003505-A1 Nucleobase heterocyclic combinatorialization PNP, ATIC, DPYD FPR2 1148/4885SCN9A 3577/4885NOS2 2981/4885

“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.