SCHEMBL6069866

SCHEMBL6069866

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.39
SCN9A Q15858 3/20 0.39
ALOX5AP P20292 1/20 0.34
CASP3 P42574 1/20 0.34
ATR Q13535 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
ROCK2 O75116 1/20 0.32
HTR2C P28335 3/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
HTR2A P28223 2/20 0.30
HTR2B P41595 2/20 0.30
SMARCA2 P51531 1/20 0.30
SMARCA4 P51532 1/20 0.30
PBRM1 Q86U86 1/20 0.30
MAP4K4 O95819 1/20 0.30
MPO P05164 1/20 0.30

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
SCHEMBL6069451 0.87 FPR2 (0.37) FPR2SCN9AALOX5APCASP3ATR
SCHEMBL6069516 0.86 FPR2 (0.38) FPR2SCN9AALOX5APCASP3ATR
SCHEMBL3298854 0.79 HTR2C (0.34) FPR2SCN9ACASP3ROCK2HTR2C
SCHEMBL3300676 0.79 HTR2C (0.34) FPR2SCN9ACASP3ROCK2HTR2C
SCHEMBL5377547 0.77 CHRNB2 (0.39) ALOX5APCASP3ROCK2
SCHEMBL5637366 0.76 KDM4E (0.46) ACACBACACAHTR2C
SCHEMBL27993761 0.76 HTR2A (0.38) ATRATRIPROCK2HTR2CHTR2A
SCHEMBL15415761 0.75 GPR119 (0.34) FPR2SCN9AALOX5APCASP3ATR
SCHEMBL27561229 0.74 SLC6A2 (0.44) HTR2CHTR2AHTR2B
SCHEMBL9984065 0.74 TACR1 (0.38) FPR2SCN9AHTR2CHTR2AHTR2B

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 4 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

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 3577/4885ALOX5AP 3775/4885
US-20030003505-A1 Nucleobase heterocyclic combinatorialization PNP, ATIC, DPYD FPR2 1148/4885SCN9A 3577/4885ALOX5AP 3775/4885

“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.