SCHEMBL5228089

SCHEMBL5228089

CC(C)(C)OC(=O)N1CCN(CCCc2cccs2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ACKR3 P25106 3/20 0.50
SIGMAR1 Q99720 4/20 0.47
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TLR8 Q9NR97 1/20 0.45
GBA1 P04062 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9744195 0.93 SMN1; SMN2 (0.55) SMN1; SMN2HSD17B10ACKR3CHRM2CHRM4
SCHEMBL2023366 0.85 SMN1; SMN2 (0.72) SMN1; SMN2HSD17B10CHRM2CHRM4CHRM1
SCHEMBL5234241 0.81 ALDH1A1 (0.55) SMN1; SMN2HSD17B10SIGMAR1KDM4EALDH1A1
SCHEMBL3766890 0.81 ACKR3 (0.48) SMN1; SMN2HSD17B10ACKR3SIGMAR1CHRM2
SCHEMBL7971782 0.80 SIGMAR1 (0.69) ACKR3SIGMAR1HRH1
SCHEMBL9035867 0.80 KDM4E (0.52) KDM4E
SCHEMBL9743736 0.79 ACKR3 (0.48) ACKR3SIGMAR1CHRM2CHRM4CHRM1
SCHEMBL6730632 0.78 PARP1 (0.41) SMN1; SMN2HSD17B10GBA1
SCHEMBL9277454 0.77 SIGMAR1 (0.58) SMN1; SMN2SIGMAR1CHRM2CHRM1ALDH1A1
SCHEMBL6486928 0.77 GPR119 (0.46) ACKR3SIGMAR1CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1818326-A1 Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds Eisai R&D Management Co., Ltd. (JP) 2007-08-15 EP disclosed
EP-1254895-B1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2007-05-23 EP disclosed
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-04-20 US disclosed
US-6906072-B1 Piperazine compound and pharmaceutical composition containing the compound EISAI CO., LTD. (JP) 2005-06-14 US disclosed
US-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI CO., LTD. 2004-11-04 US disclosed
EP-1254895-A1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 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 (2 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-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1D, CACNA1B, CACNA1E SMN1; SMN2 1079/4885HSD17B10 1954/4885ACKR3 2388/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D SMN1; SMN2 1311/4885HSD17B10 1701/4885ACKR3 2042/4885

“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.