SCHEMBL16609042

SCHEMBL16609042

CCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.48
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
GPR119 Q8TDV5 5/20 0.45
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
FAAH O00519 1/20 0.44
RECQL P46063 1/20 0.44
EPHX1 P07099 1/20 0.44

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
SCHEMBL19347041 1.00 NR1H2 (0.48) NR1H2HPGDKDM4EPKMALDH1A1
SCHEMBL12844537 1.00 NR1H2 (0.48) NR1H2HPGDKDM4EPKMALDH1A1
SCHEMBL792459 0.92 HPGD (0.54) NR1H2HPGDKDM4EPKMGPR119
SCHEMBL12844406 0.91 ALDH1A1 (0.53) NR1H2HPGDALDH1A1KMT2AMEN1
SCHEMBL23207463 0.91 GPR119 (0.49) NR1H2HPGDKDM4EPKMALDH1A1
Ammonia Solution, Strong SCHEMBL7868695 0.90 HPGD (0.53) NR1H2HPGDKDM4EPKMGPR119
SCHEMBL850478 0.90 GPR119 (0.50) NR1H2HPGDKDM4EPKMALDH1A1
Bromide SCHEMBL7684223 0.90 ALDH1A1 (0.52) NR1H2HPGDALDH1A1KMT2AMEN1
SCHEMBL6398279 0.88 NR1H2 (0.51) NR1H2HPGDKDM4EPKMALDH1A1
SCHEMBL344474 0.88 NR1H2 (0.51) NR1H2HPGDKDM4EPKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20220162197-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. 2022-05-26 US disclosed
WO-2020115190-A1 NOVEL ANTIBACTERIAL 3\"-DERIVATIVES OF 4,6-DISUBSTITUTED 2,5-DIDEOXYSTREPTAMINE AMINOGLYCOSIDE ANTIBIOTICS AGILEBIOTICS B.V. (NL) 2020-06-11 WO disclosed
WO-2015044170-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES AND USE THEREOF TO TREAT THROMBOTIC/THROMBOEMBOLIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 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 (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-20220162197-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A NR1H2 633/4885HPGD 3438/4885KDM4E 167/4885
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS NR1H2 2802/4885HPGD 824/4885KDM4E 2695/4885

“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.