SCHEMBL15575173

SCHEMBL15575173

N[C@H]1CO[C@@H]2COC(c3ccccc3)O[C@H]2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.37
CYP2C19 P33261 5/20 0.37
MAOB P27338 8/20 0.36
MAOA P21397 7/20 0.36
KDM1A O60341 5/20 0.36
CYP2B6 P20813 3/20 0.36
LMNA P02545 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
ADRA1A P35348 2/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 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
SCHEMBL16944176 1.00 MEN1 (0.42) MEN1KMT2ACYP2C9CYP3A4MAPT
SCHEMBL8905004 0.84 MEN1 (0.49) MEN1KMT2ACYP2C9CYP3A4MAPT
SCHEMBL8905280 0.84 MEN1 (0.49) MEN1KMT2ACYP2C9CYP3A4MAPT
SCHEMBL8905152 0.84 MEN1 (0.49) MEN1KMT2ACYP2C9CYP3A4MAPT
SCHEMBL15615492 0.81 MEN1 (0.45) MEN1KMT2ACYP2C9CYP3A4MAPT
SCHEMBL15574708 0.81 MEN1 (0.45) MEN1KMT2ACYP2C9CYP3A4MAPT
SCHEMBL4078443 0.81 MEN1 (0.42) MEN1KMT2ACYP2C9CYP3A4MAPT
SCHEMBL15573155 0.81 MEN1 (0.48) MEN1KMT2ACYP2C9CYP3A4MAPT
SCHEMBL13344775 0.81 ALDH1A1 (0.42) MEN1KMT2ACYP2C9CYP3A4MAPT
SCHEMBL12747477 0.81 MEN1 (0.48) MEN1KMT2ACYP2C9CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888006-B1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES USEFUL AS AMPK ACTIVATORS MERCK SHARP & DOHME (US) 2019-04-24 EP disclosed
EP-2888006-B1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES USEFUL AS AMPK ACTIVATORS MERCK SHARP & DOHME (US) 2019-04-24 EP disclosed
US-9382243-B2 Azabenzimidazole tetrahydropyran derivatives MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-9382243-B2 Azabenzimidazole tetrahydropyran derivatives MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-9382243-B2 Azabenzimidazole tetrahydropyran derivatives MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-20150210685-A1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES MERCK SHARP & DOHME LLC 2015-07-30 US disclosed
US-20150210685-A1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES MERCK SHARP & DOHME LLC 2015-07-30 US disclosed
US-20150210685-A1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES MERCK SHARP & DOHME LLC 2015-07-30 US disclosed
EP-2888006-A1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES Merck Sharp & Dohme Corp. (US) 2015-07-01 EP disclosed
WO-2014031465-A1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2014-02-27 WO disclosed
WO-2014031465-A1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2014-02-27 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 (1 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-20150210685-A1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES PRKAG2, PRKAB2, PRKAG1 MEN1 3180/4885KMT2A 1082/4885CYP2C9 3429/4885

“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.