SCHEMBL3746589

SCHEMBL3746589

CC(COC(=O)N1CCC(n2c(=O)oc3ccccc32)CC1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.51
SCN5A Q14524 1/20 0.51
SCN9A Q15858 1/20 0.51
HSD11B1 P28845 2/20 0.47
PLD1 Q13393 1/20 0.45
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
TNKS O95271 2/20 0.43
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
CDYL Q9Y232 5/20 0.41
CBX7 O95931 4/20 0.41
CDYL2 Q8N8U2 4/20 0.41
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
CDY1; CDY1B Q9Y6F8 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL3746585 1.00 SCN1A (0.51) SCN1ASCN5ASCN9AHSD11B1PLD1
SCHEMBL13980437 0.83 CYP3A4 (0.47) HSD11B1CHRM4CHRM5CHRM1TNKS
SCHEMBL3637418 0.83 CYP3A4 (0.47) HSD11B1CHRM4CHRM5CHRM1TNKS
SCHEMBL1834402 0.82 CHRM1 (0.63) HSD11B1PLD1CHRM4CHRM5CHRM1
SCHEMBL1834401 0.82 CHRM1 (0.63) HSD11B1PLD1CHRM4CHRM5CHRM1
SCHEMBL30197467 0.82 CHRM1 (0.63) HSD11B1PLD1CHRM4CHRM5CHRM1
SCHEMBL3749221 0.82 CHRM2 (0.40) CHRM4CHRM5CHRM1CHRM2CHRM3
SCHEMBL3758792 0.82 CHRM2 (0.40) CHRM4CHRM5CHRM1CHRM2CHRM3
SCHEMBL3639898 0.82 C5AR1 (0.52)
SCHEMBL3758795 0.82 CHRM2 (0.40) CHRM4CHRM5CHRM1CHRM2CHRM3

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-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 US claimed
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 US disclosed
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 EP 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-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans ABCB11, TPP1, ABCB1 SCN1A 3542/4885SCN5A 3449/4885SCN9A 3651/4885

“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.