SCHEMBL4560480

SCHEMBL4560480

O=C(Nc1ccc(N2CCOCC2)cc1)N1CCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.63
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
TSHR P16473 1/20 0.60
MAPT P10636 4/20 0.60
HPGD P15428 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
ALDH1A1 P00352 2/20 0.59
KMT2A Q03164 2/20 0.59
MITF O75030 1/20 0.59
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
MEN1 O00255 1/20 0.58
TP53 P04637 1/20 0.58
ESR2 Q92731 1/20 0.58
BLM P54132 1/20 0.58
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
MLYCD O95822 1/20 0.56

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
SCHEMBL4558124 0.83 HRH3 (0.60) SMN1; SMN2MAPTALDH1A1KMT2ANPC1
SCHEMBL1853814 0.80 MAPT (0.67) GAASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL4559582 0.80 PANK3 (0.60) SMN1; SMN2MAPTNPSR1ALDH1A1KMT2A
SCHEMBL429084 0.79 MAPT (0.65) GAASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL25681592 0.79 GAA (1.00) GAASMN1; SMN2CYP2C9CYP2C19TSHR
SCHEMBL429085 0.79 MAPT (0.75) GAASMN1; SMN2CYP2C19MAPTALDH1A1
SCHEMBL28786813 0.79 MAPT (0.65) GAASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL10594359 0.78 GAA (0.73) GAASMN1; SMN2CYP2C9CYP2C19TSHR
SCHEMBL2475796 0.78 GAA (0.73) GAASMN1; SMN2CYP2C9CYP2C19TSHR
SCHEMBL5003684 0.78 MAPT (0.72) GAASMN1; SMN2MAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B GAA 335/4885SMN1; SMN2 3300/4885CYP2C9 4758/4885

“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.