SCHEMBL5142671

SCHEMBL5142671

CCOC(=O)C(N)CC=C(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 3/20 0.38
GLO1 Q04760 1/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
HPGD P15428 1/20 0.33
SOAT1 P35610 1/20 0.33
CAD P27708 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
CPB2 Q96IY4 1/20 0.32

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
SCHEMBL9190299 0.79 ALDH1A1 (0.42) GRIK1GRIK2CYP2D6CYP2C19CYP2C9
SCHEMBL27584239 0.79 ALOX15 (0.41) CYP2D6CYP2C19CYP2C9ALDH1A1LMNA
SCHEMBL1770516 0.78 GRIK1 (0.41) GRIK1GRIK2CYP2D6CYP2C19CYP2C9
SCHEMBL1274021 0.78 GRIK1 (0.41) GRIK1GRIK2CYP2D6CYP2C19CYP2C9
SCHEMBL10837285 0.78 ALDH1A1 (0.41) GRIK1GRIK2CYP2D6CYP2C19CYP2C9
SCHEMBL18571419 0.78 GRIK1 (0.41) GRIK1GRIK2CYP2D6CYP2C19CYP2C9
SCHEMBL13979544 0.76 GRIK1 (0.53) GRIK1GRIK2ALOX15
SCHEMBL7694807 0.76 LMNA (0.39) GRIK1GRIK2CYP2D6CYP2C19CYP2C9
Hydrochloric Acid SCHEMBL3620844 0.76 GRIK1 (0.40) GRIK1GRIK2CYP2D6CYP2C19CYP2C9
SCHEMBL28127614 0.76 ALDH1A1 (0.39) GRIK1GRIK2CYP2D6CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 CN disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
EP-4161902-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-04-12 EP disclosed
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed
US-7301022-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2007-11-27 US disclosed
US-7301022-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2007-11-27 US disclosed
US-7301022-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2007-11-27 US disclosed
WO-2006089311-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-08-24 WO disclosed
US-20060183745-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-08-17 US 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-20060183745-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 GRIK1 472/4885GRIK2 392/4885CYP2D6 2008/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV GRIK1 4299/4885GRIK2 4003/4885CYP2D6 944/4885

“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.