SCHEMBL6490895

SCHEMBL6490895

O=C1CC(C(=O)N2CCC(c3ccccc3)CC2)CCc2c(OCc3ccccc3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
PARP1 P09874 2/20 0.41
CRBN Q96SW2 1/20 0.41
IKZF3 Q9UKT9 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
AGTR2 P50052 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 2/20 0.39
RECQL P46063 1/20 0.39
S1PR5 Q9H228 1/20 0.39
LTB4R Q15722 1/20 0.39

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
SCHEMBL6075908 0.86 KMT2A (0.48) SMN1; SMN2LMNAL3MBTL1ALDH1A1MEN1
SCHEMBL6494275 0.82 SMN1; SMN2 (0.48) HTTMRGPRX4SMN1; SMN2LMNAL3MBTL1
SCHEMBL6499625 0.81 SPR (0.43) SMN1; SMN2LMNAMEN1KMT2ATP53
SCHEMBL6499095 0.81 HTR2B (0.44) SMN1; SMN2MEN1KMT2A
SCHEMBL6490937 0.81 BACE1 (0.43) SMN1; SMN2
SCHEMBL6499841 0.81 NPC1 (0.42) LMNAALDH1A1MEN1KMT2A
SCHEMBL6501862 0.81 BACE1 (0.42) HTTSMN1; SMN2MEN1KMT2APARP1
SCHEMBL6490907 0.81 BACE1 (0.47) SMN1; SMN2
SCHEMBL6493038 0.77 BACE1 (0.46)
SCHEMBL6498530 0.76 ADAMTS5 (0.44) LMNAALDH1A1MEN1KMT2APOLB

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-6969724-B2 Compounds SMITHKLINE BEECHAM-SPA (GB) 2005-11-29 US disclosed
US-20040024218-A1 Novel compounds SMITHKLINE BEECHAM SPA 2004-02-05 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-20040024218-A1 Novel compounds OXER1, CLIC1, CCR1 HTT 4362/4885MRGPRX4 406/4885SMN1; SMN2 4494/4885

“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.