SCHEMBL16423985

SCHEMBL16423985

CCOC(=O)C(C#N)C1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.46
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
DPP4 P27487 2/20 0.38
CTSK P43235 1/20 0.38
GPR119 Q8TDV5 3/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
NAMPT P43490 1/20 0.34
ADORA1 P30542 1/20 0.34
IDO1 P14902 1/20 0.34
TSHR P16473 1/20 0.33
HPGD P15428 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
SCHEMBL20994933 0.91 MEN1 (0.47) NR1H2MEN1ALDH1A1KMT2AMAPT
SCHEMBL24815280 0.83 NR1H2 (0.40) NR1H2MEN1ALDH1A1KMT2AMAPT
SCHEMBL1662404 0.81 NR1H2 (0.51) NR1H2MEN1ALDH1A1KMT2AMAPT
SCHEMBL27887915 0.75 EPHX1 (0.45) NR1H2MEN1ALDH1A1KMT2AMAPT
SCHEMBL344169 0.75 EPHX1 (0.45) NR1H2MEN1ALDH1A1KMT2AMAPT
SCHEMBL16415110 0.75 NR1H2 (0.48) NR1H2MEN1ALDH1A1KMT2AMAPT
SCHEMBL18497663 0.75 NR1H2 (0.51) NR1H2MEN1ALDH1A1KMT2AMAPT
SCHEMBL21044864 0.74 ALDH1A1 (0.52) MEN1ALDH1A1KMT2AMAPTDPP4
SCHEMBL546205 0.74 L3MBTL1 (0.41) MEN1ALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL22655482 0.74 GPR119 (0.48) NR1H2MEN1ALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187453-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-20150094296-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-02 US disclosed
EP-2832734-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-04 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-20150094296-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA NR1H2 1800/4885MEN1 1167/4885ALDH1A1 4734/4885

“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.