SCHEMBL3494473

SCHEMBL3494473

CCOC(=O)C1(CC(=O)OCc2ccccc2)CCCN(C2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.62
MEN1 O00255 6/20 0.62
KDM4E B2RXH2 2/20 0.59
LMNA P02545 4/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 3/20 0.46
PKM P14618 1/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NPY1R P25929 1/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41

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
SCHEMBL3496064 0.93 KMT2A (0.62) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL3494528 0.90 KMT2A (0.68) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL3496025 0.88 KMT2A (0.52) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL13348144 0.88 KMT2A (0.63) KMT2AMEN1KDM4ELMNAALDH1A1
Hydrochloric Acid SCHEMBL3492737 0.85 KMT2A (0.67) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL3494098 0.85 KMT2A (0.55) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL3497732 0.82 KMT2A (0.52) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL3496729 0.82 KMT2A (0.62) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL3494458 0.81 KMT2A (0.52) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL3498670 0.81 KMT2A (0.50) KMT2AMEN1KDM4ELMNAALDH1A1

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 8 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-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
US-20100093777-A1 SPIRO-RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 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
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 KMT2A 3284/4885MEN1 4260/4885KDM4E 1730/4885
US-20100093777-A1 SPIRO-RING COMPOUND ACACA, PC, ACACB KMT2A 2374/4885MEN1 2745/4885KDM4E 1490/4885

“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.