SCHEMBL4676909

SCHEMBL4676909

CC1CN(C(=O)Cl)CC(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
NR1H2 P55055 1/20 0.44
PREP P48147 4/20 0.40
EPHX2 P34913 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.35
EPHX1 P07099 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
RORC P51449 1/20 0.34
SETD7 Q8WTS6 1/20 0.34

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
SCHEMBL29178586 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL4681123 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL34468363 0.86 NR1H2 (0.51) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL4677693 0.86 NR1H2 (0.51) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL4677686 0.86 NR1H2 (0.51) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL5881516 0.86 NR1H2 (0.51) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL30155479 0.84 CHRM2 (0.45) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL2378746 0.84 CHRM2 (0.45) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL25470765 0.81 CHRM2 (0.56) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL24372084 0.81 CHRM2 (0.56) CHRM2CHRM1CHRM3NR1H2PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112996784-B Indole derivatives and their use in medicine 北京越之康泰生物医药科技有限公司 2023-05-30 CN disclosed
EP-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 EP disclosed
US-7022707-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-04-04 US disclosed
US-20040235859-A1 Novel piperazine derivatives ADAMS DAVID REGINALD (GB) 2004-11-25 US disclosed
EP-1343775-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-17 EP disclosed
US-20020143020-A1 Novel piperazine derivatives VERNALIS RESEARCH LIMITED (GB) 2002-10-03 US disclosed
WO-2002048124-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-20 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-20020143020-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 CHRM2 833/4885CHRM1 212/4885CHRM3 1916/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 CHRM2 833/4885CHRM1 212/4885CHRM3 1916/4885

“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.