SCHEMBL5142674

SCHEMBL5142674

CCOC(=O)C(CC=C(C)C)N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
AAK1 Q2M2I8 1/20 0.44
PIN1 Q13526 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
MMP8 P22894 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TBXAS1 P24557 2/20 0.36
LMNA P02545 1/20 0.36
BTN3A1 O00481 1/20 0.35

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
SCHEMBL13950541 0.85 MEN1 (0.46) MEN1KMT2ANPC1AAK1PIN1
SCHEMBL30949485 0.84 AAK1 (0.64) MEN1KMT2AAAK1ALDH1A1MAPT
SCHEMBL30949482 0.84 AAK1 (0.64) MEN1KMT2AAAK1ALDH1A1MAPT
SCHEMBL5928301 0.83 MEN1 (0.51) MEN1KMT2ANPC1AAK1PIN1
SCHEMBL14493754 0.80 AAK1 (0.54) MEN1KMT2ANPC1AAK1PIN1
SCHEMBL11130905 0.80 AAK1 (0.51) MEN1KMT2ANPC1AAK1PIN1
SCHEMBL15298843 0.80 KMT2A (0.49) MEN1KMT2ANPC1AAK1PIN1
SCHEMBL8182300 0.80 KMT2A (0.49) MEN1KMT2ANPC1AAK1PIN1
SCHEMBL1876173 0.78 AAK1 (0.50) MEN1KMT2ANPC1AAK1PIN1
SCHEMBL17005451 0.78 AAK1 (0.49) MEN1KMT2ANPC1AAK1PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MEN1 3499/4885KMT2A 3902/4885NPC1 2938/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV MEN1 4306/4885KMT2A 3383/4885NPC1 481/4885

“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.