SCHEMBL3436138

SCHEMBL3436138

CC(C)(C)OC(=O)N1CCn2c(nc3cc(CO)ccc32)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
NR1H2 P55055 2/20 0.42
ALDH1A1 P00352 6/20 0.42
TSHR P16473 1/20 0.41
GPR119 Q8TDV5 1/20 0.39
KDM4E B2RXH2 6/20 0.39
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
ESR2 Q92731 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 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
SCHEMBL9968767 0.84 NR1H2 (0.44) HTTNR1H2ALDH1A1TSHRKDM4E
SCHEMBL14953233 0.83 ALDH1A1 (0.50) HTTALDH1A1TSHRKDM4EMAPT
SCHEMBL20139779 0.82 TSHR (0.62) HTTNR1H2ALDH1A1TSHRMAPT
SCHEMBL14805405 0.80 NR1H2 (0.49) NR1H2GPR119ESR2
SCHEMBL25419579 0.78 NR1H2 (0.44) HTTNR1H2ALDH1A1TSHRMAPT
SCHEMBL30138845 0.78 NR1H2 (0.44) HTTNR1H2ALDH1A1TSHRMAPT
SCHEMBL3436387 0.76 GRM2 (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL27433296 0.76 CHRM2 (0.46) HTTNR1H2ALDH1A1TSHRMAPK1
SCHEMBL15290072 0.75 GPR119 (0.45) NR1H2GPR119
SCHEMBL9968761 0.75 MCHR1 (0.69)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594555-B1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA PHARM CO LTD (JP) 2018-03-07 EP disclosed
US-9200008-B2 Heterocyclic compound and p27Kip1 degradation inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 US disclosed
US-9200008-B2 Heterocyclic compound and p27Kip1 degradation inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 US disclosed
EP-2594555-A1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA Pharmaceutical Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-28 US disclosed
US-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-28 US disclosed
WO-2012002527-A1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR あすか製薬株式会社 (JP) 2012-01-05 WO 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-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR CDKN1A, SKP2, CCNI HTT 2731/4885NR1H2 4627/4885ALDH1A1 1594/4885

“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.