SCHEMBL3495072

SCHEMBL3495072

COC(=O)C1(O)CCCN(C2CCN(C(=O)O)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ACACB O00763 6/20 0.35
ACACA Q13085 6/20 0.35
L3MBTL3 Q96JM7 5/20 0.35
L3MBTL1 Q9Y468 5/20 0.35
POLB P06746 1/20 0.35
MBTD1 Q05BQ5 1/20 0.33
TP53BP1 Q12888 1/20 0.33
L3MBTL4 Q8NA19 1/20 0.33

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
SCHEMBL4293993 0.86 L3MBTL3 (0.39) MEN1KMT2AL3MBTL3L3MBTL1MBTD1
SCHEMBL3495073 0.84 HPGD (0.46) ALDH1A1KDM4EPOLB
SCHEMBL14222611 0.82 KDM4E (0.35) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL16992343 0.74 L3MBTL3 (0.41) MEN1KMT2AALDH1A1KDM4EL3MBTL3
SCHEMBL20899058 0.73 USP2 (0.36) MEN1KMT2AALDH1A1
SCHEMBL1447288 0.72 CYP3A4 (0.35) MEN1KMT2AALDH1A1
SCHEMBL14964764 0.72 CHRM1 (0.43) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL14222041 0.70 EPHX1 (0.43) ALDH1A1KDM4EPOLB
SCHEMBL2862492 0.70 L3MBTL3 (0.58) MEN1KMT2AL3MBTL3L3MBTL1MBTD1
SCHEMBL4334091 0.70 L3MBTL3 (0.58) MEN1KMT2AL3MBTL3L3MBTL1MBTD1

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
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100093777-A1 SPIRO-RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
EP-2128163-A1 SPIRO-RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP 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 (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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC MEN1 4260/4885KMT2A 3284/4885ALDH1A1 772/4885
US-20100093777-A1 SPIRO-RING COMPOUND ACACA, PC, ACACB MEN1 2745/4885KMT2A 2374/4885ALDH1A1 331/4885

“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.