SCHEMBL3111110

SCHEMBL3111110

CC(c1ccc(F)nc1)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
CYP3A5 P20815 2/20 0.48
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TBK1 Q9UHD2 8/20 0.43
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
GPR119 Q8TDV5 3/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL3116293 1.00 CYP3A4 (0.48) CYP3A4CYP3A5HTTNPC1ALDH1A1
SCHEMBL18291472 0.86 HTT (0.46) CYP3A4CYP3A5HTTNPC1ALDH1A1
SCHEMBL24322390 0.86 RAB9A (0.49) CYP3A4CYP3A5HTTNPC1ALDH1A1
SCHEMBL3837657 0.84 HTT (0.51) CYP3A4CYP3A5HTTNPC1ALDH1A1
SCHEMBL3837654 0.84 HTT (0.51) CYP3A4CYP3A5HTTNPC1ALDH1A1
SCHEMBL660699 0.84 HTT (0.51) CYP3A4CYP3A5HTTNPC1ALDH1A1
SCHEMBL3103252 0.82 GPR119 (0.43) HTTNPC1ALDH1A1MAPTMAPK1
SCHEMBL116109 0.82 GPR119 (0.43) HTTNPC1ALDH1A1MAPTMAPK1
SCHEMBL3108477 0.82 GPR119 (0.43) HTTNPC1ALDH1A1MAPTMAPK1
SCHEMBL27863375 0.82 CYP3A4 (0.45) CYP3A4CYP3A5HTTNPC1ALDH1A1

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
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
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 CYP3A4 3875/4885CYP3A5 2711/4885HTT 1270/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD CYP3A4 3875/4885CYP3A5 2711/4885HTT 1270/4885

“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.