SCHEMBL24019686

SCHEMBL24019686

Cc1ccn(C(C)C)c(=O)c1N

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
HBB P68871 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BCHE P06276 1/20 0.33
PTGS2 P35354 1/20 0.33
POLB P06746 1/20 0.31
CD44 P16070 1/20 0.31

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
SCHEMBL27042007 0.82 BCHE (0.31) BCHEPTGS2
SCHEMBL8649458 0.80 USP5 (0.40) ALDH1A1RAB9APTGS2POLB
SCHEMBL17464957 0.79 TDP2 (0.35) SMN1; SMN2TSHRL3MBTL1
SCHEMBL4682754 0.79 BRD4 (0.44) SMN1; SMN2NPC1ALDH1A1CYP3A4TSHR
SCHEMBL20689212 0.78 ADORA2A (0.33)
SCHEMBL4683794 0.78
SCHEMBL15739595 0.78 ALDH1A1 (0.36) ALDH1A1PTGS2POLB
SCHEMBL19485379 0.76 LMNA (0.33) PTGS2
SCHEMBL24759405 0.76 LMNA (0.40) NPC1ALDH1A1MAPK1PTGS2POLB
SCHEMBL20087283 0.76 ATAD2 (0.32)

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 9 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
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 US disclosed
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 US disclosed
US-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-12-22 US disclosed
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-12-13 US disclosed
US-11312704-B2 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-04-26 US disclosed
US-20210355111-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2021-11-18 US disclosed
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-11-16 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 (7 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-11312704-B2 Inhibitors of cysteine proteases and methods of use thereof CTSV, CTRL, CTSL SMN1; SMN2 3879/4885NPC1 545/4885ALDH1A1 1798/4885
US-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL SMN1; SMN2 3879/4885NPC1 545/4885ALDH1A1 1798/4885
US-20210355111-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSV, CTSL SMN1; SMN2 4032/4885NPC1 591/4885ALDH1A1 2252/4885
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL SMN1; SMN2 4032/4885NPC1 591/4885ALDH1A1 2252/4885
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL SMN1; SMN2 3879/4885NPC1 545/4885ALDH1A1 1798/4885
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL SMN1; SMN2 4032/4885NPC1 591/4885ALDH1A1 2252/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV SMN1; SMN2 3613/4885NPC1 481/4885ALDH1A1 1863/4885

“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.