SCHEMBL12413655

SCHEMBL12413655

CC(C)C(=O)N1CCC(CN(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.41
DPP7 Q9UHL4 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
DPP4 P27487 5/20 0.39
DPP9 Q86TI2 2/20 0.39
AOC2 O75106 1/20 0.38
MAOA P21397 1/20 0.38
FAAH O00519 1/20 0.38
HSD17B10 Q99714 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NAMPT P43490 1/20 0.36

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
SCHEMBL12413677 0.92 CHRNB2 (0.38) DPP8DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL12413675 0.89 L3MBTL1 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12448139 0.87 CHRNB2 (0.48) DPP8DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL24127262 0.82 MAPT (0.46) HSD17B10NPSR1MEN1ALDH1A1KMT2A
SCHEMBL13819991 0.82 DPP8 (0.56) DPP8DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL18347962 0.82 CHRNB2 (0.43) DPP8DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL13459963 0.82 CHRNB2 (0.43) DPP8DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL13460002 0.82 CHRNB2 (0.43) DPP8DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL18309355 0.82 DPP8 (0.56) DPP8DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL18888844 0.82 DPP8 (0.56) DPP8DPP7CHRNB2CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 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-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 DPP8 786/4885DPP7 799/4885CHRNB2 3419/4885

“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.