SCHEMBL3243016

SCHEMBL3243016

CC(C)(C)OC(=O)N1CC[C@H](C(SCc2nnn[nH]2)c2ccccc2)[C@@H](CCOC2CCCCO2)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
PRMT5 O14744 4/20 0.36
WDR77 Q9BQA1 4/20 0.36
MAPT P10636 2/20 0.35
HPGDS O60760 1/20 0.35
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
USP30 Q70CQ3 4/20 0.33
GPR119 Q8TDV5 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL3243013 0.72 THRB (0.38) SMN1; SMN2GAATHRBMAPTHPGDS
SCHEMBL3246092 0.69 MEN1 (0.39) SMN1; SMN2THRBMAPTGPR119
SCHEMBL3247572 0.69 MEN1 (0.36) SMN1; SMN2GAATHRBMAPTGPR119
SCHEMBL3247577 0.66 MEN1 (0.36) PRMT5WDR77MAPTGPR119JAK2
SCHEMBL23910164 0.63 NR1H2 (0.42) SMN1; SMN2PRMT5WDR77MAPT
SCHEMBL23860091 0.63 NR1H2 (0.42) SMN1; SMN2PRMT5WDR77MAPT
SCHEMBL2328081 0.62 HPGDS (0.49) THRBMAPTHPGDSGPR119JAK2
SCHEMBL23249978 0.62 RECQL (0.47) SMN1; SMN2THRBPRMT5WDR77MAPT
SCHEMBL25384043 0.61 ABHD6 (0.50)
SCHEMBL2148636 0.61 SMN1; SMN2 (0.49) SMN1; SMN2USP30JAK2JAK1

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
EP-1799674-B1 NEW PIPERIDINE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-05 EP disclosed
US-20070173532-A1 New Piperidine Antibiotics ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-26 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-20070173532-A1 New Piperidine Antibiotics OPRM1, SIGMAR1, CBR3 SMN1; SMN2 2971/4885GAA 3929/4885THRB 2100/4885

“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.