SCHEMBL3496691

SCHEMBL3496691

CC1=NC2(CCCN(C3CCN(C(=O)OC(C)(C)C)CC3)C2)C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
CTSD P07339 1/20 0.41
CTSE P14091 1/20 0.41
BACE1 P56817 1/20 0.41
HCAR1 Q9BXC0 1/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
DDB1 Q16531 2/20 0.38
CRBN Q96SW2 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
EPHX1 P07099 1/20 0.37
GPR119 Q8TDV5 2/20 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
SCHEMBL3498804 0.87 POLB (0.42) KDM4EMAPTTHRBCTSDCTSE
SCHEMBL3497114 0.87 MAPT (0.40) KDM4EMAPTTHRBCTSDCTSE
SCHEMBL3498777 0.84 ACACB (0.38) KDM4EMAPTTHRBHPGDDDB1
SCHEMBL3498060 0.82 ACACB (0.42) KDM4EMAPTTHRBCTSDCTSE
SCHEMBL3494691 0.81 ACACB (0.54) KDM4EMAPTTHRBCTSDCTSE
SCHEMBL3495422 0.80 ACACB (0.50) KDM4EMAPTTHRBCTSDCTSE
SCHEMBL13551776 0.79 USP2 (0.42) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL3498906 0.78 ACACB (0.55) KDM4EMAPTTHRBCTSDCTSE
SCHEMBL3492719 0.77 CCNC (0.47) KDM4EMAPTTHRBCTSDCTSE
SCHEMBL3498146 0.77 ACACB (0.56) KDM4EMAPTTHRBCTSDCTSE

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 9 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

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 KDM4E 1730/4885MAPT 4356/4885THRB 845/4885
US-20100093777-A1 SPIRO-RING COMPOUND ACACA, PC, ACACB KDM4E 1490/4885MAPT 3618/4885THRB 1198/4885

“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.