SCHEMBL8208161

SCHEMBL8208161

CCCn1c(=O)c(NC(=O)C23CC4CC(CC2C4)C3)c(N)n(Cc2ccccc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
LMNA P02545 3/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
ADORA3 P0DMS8 3/20 0.38
ADORA2B P29275 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
SLC22A11 Q9NSA0 1/20 0.38

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
SCHEMBL7279899 0.88 ADORA1 (0.44) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL8397308 0.85 ADORA2A (0.42) ALDH1A1GAAADORA3ADORA2BADORA2A
SCHEMBL8397023 0.84 ADORA2B (0.44) GAAMAPTADORA3ADORA2BADORA2A
SCHEMBL7436318 0.83 ADORA1 (0.46) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL8705434 0.82 ADORA1 (0.39) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL7279799 0.81 CNR2 (0.40) ALDH1A1KMT2AMEN1TDP1ADORA3
SCHEMBL7269080 0.80 CNR2 (0.39) ALDH1A1KMT2AMEN1MAPTADORA3
SCHEMBL14267083 0.80 LMNA (0.41) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL7270332 0.78 DHFR (0.48) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL8710355 0.78 TDP1 (0.35) ALDH1A1LMNAGAATDP1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070934-A1 KW-3902 CONJUGATES THAT DO NOT CROSS THE BLOOD-BRAIN BARRIER MUGERDITICHIAN MARK 2008-03-20 US disclosed
US-20080070934-A1 KW-3902 CONJUGATES THAT DO NOT CROSS THE BLOOD-BRAIN BARRIER MUGERDITICHIAN MARK 2008-03-20 US disclosed
WO-2008024277-A2 KW-3902 CONJUGATES THAT DO NOT CROSS THE BLOOD-BRAIN BARRIER NOVACARDIA, INC. (US) 2008-02-28 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 (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-20080070934-A1 KW-3902 CONJUGATES THAT DO NOT CROSS THE BLOOD-BRAIN BARRIER DCX, FLT4, KDR ALDH1A1 893/4885KMT2A 765/4885MEN1 2211/4885

“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.