SCHEMBL445011

SCHEMBL445011

CC(C)OCC1(C(O)c2ccc3c(cnn3[Si](C(C)C)(C(C)C)C(C)C)c2)CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.33
PLA2G7 Q13093 1/20 0.33
MGLL Q99685 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL446236 0.91 GPR119 (0.33) GPR119PLA2G7MGLLABHD6GRIN2B
SCHEMBL442630 0.90 GPR119 (0.33) GPR119PLA2G7MGLLABHD6GRIN2B
SCHEMBL443784 0.89 CNR2 (0.35) GPR119PLA2G7MGLLABHD6GRIN2B
SCHEMBL443130 0.81 GPR119 (0.31) GPR119GRIN2BGRIN2CCNR2
SCHEMBL445124 0.75 CYP2D6 (0.35) GPR119GRIN2BGRIN2CCNR2
SCHEMBL443864 0.74 SMO (0.33) GPR119GRIN2BGRIN2CCNR2
SCHEMBL440868 0.73 CNR2 (0.34) GPR119GRIN2BGRIN2CCNR2
SCHEMBL443798 0.73 CNR2 (0.36) GPR119GRIN2BGRIN2CCNR2
SCHEMBL1692123 0.72 CYP2D6 (0.33)
SCHEMBL442590 0.71 PIK3CD (0.36) GRIN2BGRIN2CCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684871-B1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives HOFFMANN LA ROCHE (CH) 2016-05-04 EP disclosed
EP-2684871-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives F. Hoffmann-La Roche AG (CH) 2014-01-15 EP disclosed
US-8513425-B2 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2013-08-20 US disclosed
US-20120065225-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF IYER PRAVIN (US) 2012-03-15 US disclosed
US-8084623-B2 heterocyclic ketones such as (3-Benzyl-pyrrolidin-3-yl)-(1H-indol-5-yl)-methanone, used as antidepressants or anxiolytic agents ROCHE PALO ALTO LLC (US) 2011-12-27 US disclosed
EP-2354124-A2 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives F. Hoffmann-La Roche AG (CH) 2011-08-10 EP disclosed
EP-2102157-B1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-06-22 EP disclosed
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-24 US disclosed
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2008-06-19 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 (3 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-20120065225-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF CNKSR1, RB1, AR GPR119 717/4885PLA2G7 2876/4885MGLL 2135/4885
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof CNKSR1, RB1, AR GPR119 717/4885PLA2G7 2876/4885MGLL 2135/4885
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof TPH2, TPH1, ADRA2C GPR119 263/4885PLA2G7 2661/4885MGLL 1265/4885

“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.