SCHEMBL6736256

SCHEMBL6736256

CCNC(=O)C1CC(C(=O)NCC)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.47
CHRNA4 P43681 3/20 0.47
CHRNA7 P36544 2/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
BCHE P06276 1/20 0.41
KMT2A Q03164 2/20 0.41
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NAAA Q02083 1/20 0.38
EPHX1 P07099 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37

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
SCHEMBL13212082 0.91 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL13742888 0.91 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL15540756 0.88 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL19905660 0.88 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL24973925 0.86 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL13275733 0.86 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL5909129 0.86 BCHE (0.47) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL12525070 0.86 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL1678458 0.84
SCHEMBL15717488 0.83 ALDH1A1 (0.41) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 US disclosed
US-8182695-B2 Bridged macrocyclic module compositions WHITEFORD JEFFERY A (US) 2012-05-22 US disclosed
US-8110679-B2 Nanofilm and membrane compositions COVALENT PARTNERS LLC (US) 2012-02-07 US disclosed
US-7595368-B2 Nanofilm compositions with polymeric components COVALENT PARTNERS, LLC (US) 2009-09-29 US disclosed
US-20090114596-A1 NANOFILM AND MEMBRANE COMPOSITIONS COVALENT PARTNERS LLC 2009-05-07 US disclosed
US-20080290034-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2008-11-27 US disclosed
US-7432371-B2 Nanofilm and membrane compositions COVALENT PARTNERS, LLC (US) 2008-10-07 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 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 (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-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 CHRNB2 4076/4885CHRNA4 4221/4885CHRNA7 3700/4885
US-20080290034-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 CHRNB2 4183/4885CHRNA4 4271/4885CHRNA7 3775/4885

“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.