SCHEMBL12413686

SCHEMBL12413686

CC(C)C(=O)N1CCCC(N)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHRNB3 Q05901 1/20 0.43
CHRNA6 Q15825 1/20 0.43
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
DPP4 P27487 11/20 0.37
DPP7 Q9UHL4 5/20 0.37
DPP8 Q6V1X1 3/20 0.37
DPP9 Q86TI2 3/20 0.37
FAP Q12884 2/20 0.37
PREP P48147 1/20 0.37
PDE4B Q07343 1/20 0.36
LMNA P02545 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL12414281 1.00 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12414280 1.00 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12414286 0.89 DPP4 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12414282 0.89 DPP4 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL5396145 0.89 DPP4 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3399856 0.87 TLR9 (0.37) ALDH1A1MEN1KMT2ATLR9TLR8
SCHEMBL3400585 0.87 TLR9 (0.37) ALDH1A1MEN1KMT2ATLR9TLR8
SCHEMBL19000006 0.80 CHRNB2 (0.57) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13198906 0.79 ALDH1A1 (0.56) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22991199 0.79 DPP4 (0.49) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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 5 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-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
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 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 CHRNB2 3419/4885CHRNA3 2426/4885CHRNA4 2617/4885

“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.