SCHEMBL3495073

SCHEMBL3495073

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
EPHX1 P07099 1/20 0.44
RECQL P46063 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38
CTSD P07339 1/20 0.38
CTSE P14091 1/20 0.38
BACE1 P56817 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
PARP1 P09874 1/20 0.38
EPHX2 P34913 1/20 0.38
STS P08842 1/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL14222041 0.87 EPHX1 (0.43) HPGDEPHX1RECQLALDH1A1KDM4E
SCHEMBL14222615 0.86 EPHX1 (0.43) HPGDEPHX1RECQLALDH1A1KDM4E
SCHEMBL14222822 0.85 EPHX1 (0.42) HPGDEPHX1RECQLALDH1A1KDM4E
SCHEMBL14222001 0.84 GPR119 (0.42) HPGDEPHX1RECQLKDM4EGPR119
SCHEMBL3495072 0.84 MEN1 (0.40) ALDH1A1KDM4EPOLB
SCHEMBL14222614 0.82 EPHX1 (0.40) HPGDEPHX1KDM4EPARP1GPR119
SCHEMBL662507 0.82 HPGD (0.44) HPGDEPHX1RECQLALDH1A1MAPT
SCHEMBL16992583 0.80 HPGD (0.47) HPGDEPHX1RECQLALDH1A1KDM4E
SCHEMBL17714543 0.79 HPGD (0.44) HPGDEPHX1MAPTEPHX2GPR119
SCHEMBL25124330 0.79 HPGD (0.49) HPGDEPHX1RECQLALDH1A1KDM4E

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 10 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-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-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 HPGD 1821/4885EPHX1 2568/4885RECQL 2226/4885
US-20100093777-A1 SPIRO-RING COMPOUND ACACA, PC, ACACB HPGD 681/4885EPHX1 2928/4885RECQL 1206/4885

“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.