SCHEMBL12414282

SCHEMBL12414282

CC(C)C(=O)N1CC[C@H](N)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.46
DPP8 Q6V1X1 5/20 0.46
DPP9 Q86TI2 3/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHRNB3 Q05901 1/20 0.46
CHRNA6 Q15825 1/20 0.46
DPP7 Q9UHL4 4/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
KCNH2 Q12809 1/20 0.38
PDE4B Q07343 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
SCHEMBL12414286 1.00 DPP4 (0.46) DPP4DPP8DPP9CHRNB2CHRNA3
SCHEMBL5396145 1.00 DPP4 (0.46) DPP4DPP8DPP9CHRNB2CHRNA3
SCHEMBL12413686 0.89 CHRNB2 (0.43) DPP4DPP8DPP9CHRNB2CHRNA3
SCHEMBL12414281 0.89 CHRNB2 (0.43) DPP4DPP8DPP9CHRNB2CHRNA3
SCHEMBL12414280 0.89 CHRNB2 (0.43) DPP4DPP8DPP9CHRNB2CHRNA3
SCHEMBL3059596 0.88 MEN1 (0.47) DPP4DPP8DPP9CHRNB2CHRNA3
SCHEMBL3397414 0.86 DPP4 (0.45) DPP4DPP8DPP9DPP7MEN1
SCHEMBL3424335 0.86 DPP4 (0.45) DPP4DPP8DPP9DPP7MEN1
SCHEMBL2249766 0.86 DPP4 (0.45) DPP4DPP8DPP9DPP7MEN1
SCHEMBL20385048 0.86 DPP4 (0.45) DPP4DPP8DPP9DPP7MEN1

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-20190330224-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2019-10-31 US disclosed
US-10179793-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2019-01-15 US disclosed
US-20170145028-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-05-25 US disclosed
US-20170145028-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-05-25 US disclosed
WO-2017075056-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-05-04 WO 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
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 WO 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 (4 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-20170145028-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 DPP4 1148/4885DPP8 1339/4885DPP9 1065/4885
US-10179793-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 DPP4 1148/4885DPP8 1339/4885DPP9 1065/4885
US-20190330224-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 DPP4 1148/4885DPP8 1339/4885DPP9 1065/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 DPP4 340/4885DPP8 786/4885DPP9 1058/4885

“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.