SCHEMBL10147776

SCHEMBL10147776

CCOC(=O)NCCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.46
CHRNB4 P30926 3/20 0.46
CHRNA3 P32297 3/20 0.46
CHRNA4 P43681 3/20 0.46
CAPN9 O14815 1/20 0.44
ACHE P22303 7/20 0.44
GLA P06280 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSL P07711 2/20 0.43
LMNA P02545 1/20 0.43
CAPN1 P07384 1/20 0.43
CTSB P07858 1/20 0.43
CTSG P08311 1/20 0.43
ANPEP P15144 3/20 0.42
RNPEP Q9H4A4 2/20 0.42
DNPEP Q9ULA0 2/20 0.42

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
SCHEMBL7385882 0.88 ACHE (0.50) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL12787597 0.86 ACHE (0.48) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL31247911 0.86 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL26198817 0.86 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL26198816 0.86 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL11242696 0.85 ACHE (0.49) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL9050615 0.84 HRH4 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL10120804 0.83 SMN1; SMN2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL9797316 0.82 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL29834112 0.82 ACHE (0.54) ACHEGLAKMT2ALMNA

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-20220273566-A1 NANOMATERIALS CONTAINING CONSTRAINED LIPIDS AND USES THEREOF GEORGIA TECH RESEARCH CORP 2022-09-01 US disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 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 (5 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT CHRNB2 3321/4885CHRNB4 3326/4885CHRNA3 3459/4885
US-20220273566-A1 NANOMATERIALS CONTAINING CONSTRAINED LIPIDS AND USES THEREOF CD47, SCARB1, LIPC CHRNB2 4527/4885CHRNB4 4635/4885CHRNA3 4424/4885
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 CHRNB2 4867/4885CHRNB4 4863/4885CHRNA3 4760/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 CHRNB2 4432/4885CHRNB4 4637/4885CHRNA3 4359/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 CHRNB2 4860/4885CHRNB4 4863/4885CHRNA3 4747/4885

“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.