SCHEMBL1151608

SCHEMBL1151608

CC(C)(C)C1CCC(N)(C(=O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 8/20 0.53
GRM2 Q14416 4/20 0.53
GRM3 Q14832 4/20 0.53
CYP1A2 P05177 4/20 0.53
CYP2C19 P33261 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
ALOX15 P16050 3/20 0.53
GRM8 O00222 2/20 0.53
GRM6 O15303 2/20 0.53
LMNA P02545 1/20 0.53
GRM5 P41594 1/20 0.53
MTOR P42345 1/20 0.53
GRM1 Q13255 1/20 0.53
PLCB1 Q9NQ66 1/20 0.53
TSHR P16473 1/20 0.53
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL4601083 0.88 GRM4 (0.47) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL4601909 0.88 GRM4 (0.47) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL11919493 0.74 FFAR3 (0.44) CYP2C19TDP1LMNAMTORALDH1A1
SCHEMBL25492415 0.74 GRM4 (0.59) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL2898361 0.74 GRM4 (0.59) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL8532181 0.74 GRM4 (0.59) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL5049246 0.72 GRM4 (0.47) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL29952939 0.71 GRM4 (0.61) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL2657478 0.71 EPHX1 (0.37) CYP1A2CYP2C19TDP1LMNAMTOR
SCHEMBL29952657 0.71 GRM4 (0.61) GRM4GRM2GRM3CYP1A2CYP2C19

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
US-9636409-B2 Enzyme and receptor modulation using covalent conjugates of alpha,alpha-disubstituted glycine esters GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-05-02 US disclosed
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE IP DEV LTD (GB) 2016-06-02 US disclosed
US-8778953-B2 Inhibitors of P38 map kinase CHROMA THERAPEUTICS LTD. (GB) 2014-07-15 US disclosed
US-20140088159-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2014-03-27 US disclosed
EP-2245012-B1 INHIBITORS OF P38 MAP KINASE CHROMA THERAPEUTICS LTD (GB) 2013-07-03 EP disclosed
US-20110034520-A1 Inhibitors of P38 Map Kinase MACROPHAGE PHARMA LIMITED (GB) 2011-02-10 US disclosed
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION c/o Chroma Therapeutics Ltd. (GB) 2010-12-16 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 (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-20140088159-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 GRM4 240/4885GRM2 125/4885GRM3 87/4885
US-20110034520-A1 Inhibitors of P38 Map Kinase MAPK3, MAPK1, MAPKAPK3 GRM4 3252/4885GRM2 2152/4885GRM3 716/4885
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 GRM4 240/4885GRM2 125/4885GRM3 87/4885
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 GRM4 240/4885GRM2 125/4885GRM3 87/4885

“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.