SCHEMBL2134992

SCHEMBL2134992

CC(C)(C)OC(=O)N1CCCCC1C(=O)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
UCHL1 P09936 3/20 0.53
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
USP30 Q70CQ3 2/20 0.46
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD11B1 P28845 1/20 0.43
POLB P06746 1/20 0.43
EPHX2 P34913 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2134985 1.00 NPC1 (0.54) NPC1UCHL1HRH2HRH1LMNA
SCHEMBL2136506 1.00 NPC1 (0.54) NPC1UCHL1HRH2HRH1LMNA
SCHEMBL14037470 0.96 NPC1 (0.58) NPC1UCHL1HRH2HRH1LMNA
SCHEMBL25353468 0.89 LMNA (0.56) NPC1UCHL1HRH2HRH1LMNA
SCHEMBL8221674 0.89 NPC1 (0.55) NPC1UCHL1HRH2HRH1LMNA
SCHEMBL2136988 0.88 NPC1 (0.52) NPC1UCHL1HRH2HRH1LMNA
SCHEMBL2132048 0.88 NPC1 (0.52) NPC1UCHL1HRH2HRH1LMNA
SCHEMBL5206537 0.88 NPC1 (0.54) NPC1UCHL1HRH2HRH1LMNA
SCHEMBL1251121 0.87 NPC1 (0.53) NPC1UCHL1HRH2HRH1LMNA
SCHEMBL2136252 0.87 NPC1 (0.53) NPC1UCHL1HRH2HRH1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115557933-B Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2024-08-16 CN disclosed
WO-2023274390-A1 BRUTON'S TYROSINE KINASE AND MUTANT DEGRADER, COMPOSITION AND APPLICATION THEREOF 杭州和正医药有限公司 2023-01-05 WO disclosed
CN-115557933-A Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2023-01-03 CN disclosed
US-9463187-B2 Methylphenidate derivatives and uses of them AMPIO PHARMACEUTICALS, INC. (US) 2016-10-11 US disclosed
US-20120101129-A1 Methylphenidate Derivatives and Uses of Them AMPIO PHARMACEUTICALS, INC. 2012-04-26 US disclosed
US-8076485-B2 Methylphenidate derivatives and uses of them INSTITUTE FOR MOLECULAR MEDICINE, INC. (US) 2011-12-13 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 (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-20120101129-A1 Methylphenidate Derivatives and Uses of Them SLC6A3, COMT, UGT1A1 NPC1 390/4885UCHL1 1634/4885HRH2 1148/4885

“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.