SCHEMBL4144887

SCHEMBL4144887

CCOC(=O)CC1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HTT P42858 1/20 0.47
LCK P06239 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TMEM97 Q5BJF2 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDE4B Q07343 1/20 0.46
GRIN2B Q13224 1/20 0.45

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
SCHEMBL6949116 0.88 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL22869197 0.87 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19CYP2D6
SCHEMBL8696423 0.87 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19CYP2D6
SCHEMBL2356129 0.86 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19CYP3A4
SCHEMBL11088727 0.85 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1HTTL3MBTL1CHRM1
SCHEMBL1843641 0.84 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19CYP2D6
SCHEMBL30922511 0.84 ACKR3 (0.52) HTTMEN1KMT2AJAK2JAK1
SCHEMBL25597563 0.84 ACKR3 (0.52) HTTMEN1KMT2AJAK2JAK1
SCHEMBL31739454 0.84 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1
SCHEMBL3443919 0.84 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036469-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTED AMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-02-05 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 (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-20090036469-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTED AMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGDR2, PTGDR, PTGER2 SMN1; SMN2 1857/4885NPC1 1522/4885RAB9A 3720/4885

“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.