SCHEMBL1967458

SCHEMBL1967458

C[Si](C)(C)OC1=CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GRM5 P41594 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CYP2C19 P33261 1/20 0.46
TMEM97 Q5BJF2 5/20 0.45
SIGMAR1 Q99720 5/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PRMT1 Q99873 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL4312452 0.89 GRM5 (0.51) MEN1KMT2ANPSR1GRM5SMN1; SMN2
SCHEMBL6688964 0.86 GRM5 (0.57) MEN1KMT2ANPSR1GRM5SMN1; SMN2
SCHEMBL11957019 0.81 GRM5 (0.57) MEN1KMT2ANPSR1GRM5SMN1; SMN2
SCHEMBL19046612 0.79 GRM5 (0.58) MEN1KMT2ANPSR1GRM5SMN1; SMN2
SCHEMBL20014800 0.79 GRM5 (0.50) MEN1KMT2ANPSR1GRM5SMN1; SMN2
SCHEMBL12240997 0.79 GRM5 (0.55) MEN1KMT2ANPSR1GRM5SMN1; SMN2
SCHEMBL17886619 0.79 GRM5 (0.55) MEN1KMT2ANPSR1GRM5SMN1; SMN2
SCHEMBL9381267 0.79 GRM5 (0.55) MEN1KMT2ANPSR1GRM5SMN1; SMN2
SCHEMBL21078113 0.78 GRM5 (0.57) MEN1KMT2ANPSR1GRM5SMN1; SMN2
SCHEMBL8315932 0.78 MEN1 (0.57) MEN1KMT2ANPSR1GRM5SMN1; SMN2

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3255993-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2021-01-27 EP disclosed
US-10160751-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. 2018-12-25 US disclosed
US-20180016263-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2018-01-18 US disclosed
EP-3255993-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2017-12-20 EP disclosed
US-9714231-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-25 US disclosed
US-9604964-B2 Dihydropyrazole GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-28 US disclosed
EP-2925741-B1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
EP-2925749-B1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
US-20160297797-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-13 US disclosed
US-20160280680-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-09-29 US disclosed
US-8183245-B2 Pyrazine substituted pyrrolopyridines as inhibitors of JAK and PDK1 MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-09-22 US disclosed
WO-2011103091-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-08-25 WO disclosed
US-20110184013-A1 Imidazo[1,2-a]Pyridine Compounds As Receptor Tyrosine Kinase Inhibitors ARRAY BIOPHARMA, INC. 2011-07-28 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed
EP-2334677-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS Array Biopharma, Inc. (US) 2011-06-22 EP disclosed
US-20110144085-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 US disclosed
US-20100210623-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-08-19 US disclosed
WO-2010039825-A2 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-04-08 WO disclosed
WO-2010022076-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-02-25 WO 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 (8 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-20100210623-A1 THERAPEUTIC COMPOUNDS JAK2, PDK1, JAK3 MEN1 2558/4885KMT2A 941/4885NPSR1 4198/4885
US-10160751-B2 Inhibitors of the renal outer medullary potassium channel KCNJ11, KCNJ1, SLC9A1 MEN1 354/4885KMT2A 1703/4885NPSR1 683/4885
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF AGER, PSEN2, PSEN1 MEN1 2797/4885KMT2A 4080/4885NPSR1 641/4885
US-20160297797-A1 DIHYDROPYRAZOLE GPR40 MODULATORS GPR55, GPR65, GPR35 MEN1 3698/4885KMT2A 3776/4885NPSR1 142/4885
US-20180016263-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, SLC9A1 MEN1 354/4885KMT2A 1703/4885NPSR1 683/4885
US-20110144085-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 MEN1 3598/4885KMT2A 1090/4885NPSR1 806/4885
US-20160280680-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR27 MEN1 4012/4885KMT2A 3563/4885NPSR1 46/4885
US-20110184013-A1 Imidazo[1,2-a]Pyridine Compounds As Receptor Tyrosine Kinase Inhibitors PIM1, PIM2, PIM3 MEN1 3776/4885KMT2A 1166/4885NPSR1 1421/4885

“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.