SCHEMBL8404353

SCHEMBL8404353

CCC(=O)C1=CCCN1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.55
CHRNA4 P43681 1/20 0.55
LMNA P02545 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
PTGS1 P23219 1/20 0.32
DRD3 P35462 1/20 0.32
KMT2A Q03164 1/20 0.32
SIGMAR1 Q99720 2/20 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
SCHEMBL4572644 0.88 CHRNB2 (0.47) CHRNB2CHRNA4LMNAMAPTGAA
SCHEMBL13182376 0.78
SCHEMBL12283650 0.78
SCHEMBL14218147 0.77 CHRNB2 (0.41) CHRNB2CHRNA4LMNACHRM2CHRM4
SCHEMBL10173395 0.74 L3MBTL1 (0.40) CHRNB2CHRNA4THRBSMN1; SMN2MEN1
SCHEMBL13947189 0.73 CHRNB2 (0.37) CHRNB2CHRNA4LMNACHRM2CHRM4
SCHEMBL4572657 0.73 CHRNB2 (0.38) CHRNB2CHRNA4LMNACHRM2CHRM4
SCHEMBL4572638 0.71 HSD17B3 (0.39) CHRNB2CHRNA4LMNACHRM2CHRM4
Arecolon SCHEMBL1538394 0.71 CHRNB2 (1.00) CHRNB2CHRNA4LMNACHRM2CHRM4
Arecolon SCHEMBL9568942 0.69 CHRNB2 (0.96) CHRNB2CHRNA4LMNACHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080317712-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-12-25 US disclosed
US-20080286233-A1 PIPERIZINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-02-14 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 (3 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-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC CHRNB2 4883/4885CHRNA4 4809/4885LMNA 2271/4885
US-20080317712-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS PREP, DNPEP, CTSC CHRNB2 4884/4885CHRNA4 4799/4885LMNA 3533/4885
US-20080286233-A1 PIPERIZINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, HPN, PREP CHRNB2 4885/4885CHRNA4 4817/4885LMNA 2450/4885

“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.