SCHEMBL116109

SCHEMBL116109

CC1CN(C(=O)OC(C)(C)C)CCN1C(C)c1ccc(F)nc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
CHRM2 P08172 4/20 0.38
CCR5 P51681 4/20 0.38
SETD7 Q8WTS6 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL3103252 1.00 GPR119 (0.43) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL3108477 1.00 GPR119 (0.43) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL3114900 0.85 CCR5 (0.39) CHRM2CCR5CHRM1CHRM3
SCHEMBL14797453 0.85 CCR5 (0.39) CHRM2CCR5CHRM1CHRM3
SCHEMBL3118258 0.83 GPR119 (0.41) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL3101945 0.83 GPR119 (0.41) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL3103594 0.83 GPR119 (0.41) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL3103063 0.83 GPR119 (0.41) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL3101956 0.83 GPR119 (0.41) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL3103044 0.83 GPR119 (0.41) GPR119NPC1ALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD GPR119 618/4885NPC1 479/4885ALDH1A1 4256/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD GPR119 618/4885NPC1 479/4885ALDH1A1 4256/4885

“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.