SCHEMBL483743

SCHEMBL483743

CC(C)(C)OC(=O)N1[C@@H](c2ccc(Oc3ccccc3C#N)cc2)CC[C@]12CCNC2=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
EZH2 Q15910 5/20 0.40
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
BTK Q06187 2/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
MAPK14 Q16539 4/20 0.34
CYP3A4 P08684 1/20 0.34
EGLN2 Q96KS0 1/20 0.33
ALK Q9UM73 1/20 0.32
DHODH Q02127 1/20 0.32

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
SCHEMBL2831512 0.88 KCNH2 (0.47) KCNH2EZH2POLBGAABTK
SCHEMBL483666 0.86 KCNH2 (0.45) KCNH2GPR119
SCHEMBL483566 0.82 KCNH2 (0.49) KCNH2EZH2POLBGAAGPR119
SCHEMBL310424 0.80 DDB1 (0.36)
SCHEMBL483138 0.80 DDB1 (0.36)
SCHEMBL10167529 0.76 KCNH2 (0.38) KCNH2BTK
SCHEMBL310836 0.76 KCNH2 (0.48) KCNH2GPR119BTKLPAR1LPAR5
SCHEMBL483562 0.76 KCNH2 (0.48) KCNH2GPR119BTKLPAR1LPAR5
SCHEMBL13133690 0.75 GPR119 (0.38) KCNH2GPR119BTK
SCHEMBL483473 0.74 NR1H2 (0.38) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 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-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 KCNH2 3260/4885EZH2 3740/4885POLB 3805/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B KCNH2 15/4885EZH2 3892/4885POLB 4722/4885

“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.