SCHEMBL117104

SCHEMBL117104

CC(C)(C)OC(=O)Cc1ccc(F)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
RIPK1 Q13546 1/20 0.40
RIPK3 Q9Y572 1/20 0.40
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 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
SCHEMBL20425110 0.82 RAB9A (0.51) ALDH1A1NPC1RAB9AMMP2MMP9
SCHEMBL17634090 0.82 PPARD (0.43) MTNR1AMTNR1BRIPK1RIPK3
SCHEMBL25229193 0.81 ALDH1A1 (0.56) MTNR1AMTNR1BRIPK1RIPK3ALDH1A1
SCHEMBL23540542 0.81 GABRP (0.58) MTNR1AMTNR1BRIPK1RIPK3ALDH1A1
SCHEMBL30026777 0.81 GABRP (0.58) MTNR1AMTNR1BRIPK1RIPK3ALDH1A1
SCHEMBL17665727 0.80 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1KDM4ENPC1
SCHEMBL1797381 0.80 GABRP (0.42) ALDH1A1KDM4EGABRPGABRDGABRA1
SCHEMBL17316435 0.79 TRPV1 (0.41) MTNR1AMTNR1BRIPK1RIPK3ALDH1A1
SCHEMBL27394889 0.78 KDM4E (0.50) MTNR1AMTNR1BKDM4ENR1D1
SCHEMBL18969540 0.78 MAPK1 (0.50) MTNR1AMTNR1BRIPK1RIPK3ALDH1A1

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 MTNR1A 4014/4885MTNR1B 3929/4885RIPK1 648/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD MTNR1A 4014/4885MTNR1B 3929/4885RIPK1 648/4885

“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.