SCHEMBL3497229

SCHEMBL3497229

CC(C)(C)OC(=O)N1CCCC(N)(C#N)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
CTSK P43235 1/20 0.42
HPGD P15428 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
ADAM17 P78536 1/20 0.38
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
EPHX1 P07099 1/20 0.36
RET P07949 5/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36

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
SCHEMBL23803010 0.96 HPGD (0.43) MEN1KMT2AALDH1A1MAPTCTSK
SCHEMBL5568341 0.91 USP2 (0.41) MEN1KMT2AALDH1A1MAPTCTSK
SCHEMBL13064565 0.89 HPGD (0.43) MEN1KMT2AALDH1A1MAPTCTSK
SCHEMBL851117 0.85 USP2 (0.42) MEN1KMT2AALDH1A1MAPTCTSK
SCHEMBL849908 0.82 USP2 (0.47) MEN1KMT2AALDH1A1MAPTCTSK
SCHEMBL22078891 0.81 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTCTSK
SCHEMBL10163302 0.81 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTCTSK
SCHEMBL25371480 0.80 HPGD (0.43) MEN1KMT2AALDH1A1MAPTCTSK
SCHEMBL14242632 0.80 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTCTSK
SCHEMBL19331745 0.80 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017156177-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
WO-2017156177-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC MEN1 4260/4885KMT2A 3284/4885ALDH1A1 772/4885

“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.