SCHEMBL2909779

SCHEMBL2909779

Cc1nc(OCCC(C)(C)O)ccc1Br

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.35
PIM1 P11309 1/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
KMT2A Q03164 1/20 0.33
HTR7 P34969 1/20 0.33
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MBOAT4 Q96T53 1/20 0.32
CYP2D6 P10635 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 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
SCHEMBL15494708 0.82 HTR7 (0.31) HTR7MBOAT4
SCHEMBL10058423 0.81 VDR (0.35) VDRPIM1PDE2APDE10ACYP2D6
SCHEMBL13213589 0.79 HTR7 (0.35) RAB9ANPC1KMT2AHTR7PDE2A
SCHEMBL15918541 0.78 ALDH1A1 (0.37) KMT2AHTR7PDE10ALMNACYP1A2
SCHEMBL9935004 0.77 VDR (0.34) VDRPIM1KMT2APDE2APDE10A
SCHEMBL15228340 0.77 TSHR (0.44) RAB9ANPC1KMT2AHTR7LMNA
SCHEMBL16631687 0.77 NPC1 (0.39) RAB9ANPC1KMT2AHTR7PDE2A
SCHEMBL19962931 0.75 NUDT1 (0.49) PIM1RAB9ANPC1KMT2ALMNA
SCHEMBL13117387 0.75 HTR7 (0.33) RAB9ANPC1KMT2AHTR7PDE2A
SCHEMBL13117386 0.75 HTR7 (0.33) RAB9ANPC1KMT2AHTR7PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2880028-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-30 EP disclosed
EP-2880028-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-30 EP disclosed
US-9527875-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
US-9527875-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
US-9527875-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-7968552-B2 Oxadiazolidinedione compound ASTELLAS PHARMA INC. (JP) 2011-06-28 US disclosed
US-7968552-B2 Oxadiazolidinedione compound ASTELLAS PHARMA INC. (JP) 2011-06-28 US disclosed
US-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-21 US disclosed
US-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-21 US disclosed
US-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-21 US disclosed
EP-2216330-A1 OXADIAZOLIDINEDIONE COMPOUND Astellas Pharma Inc. (JP) 2010-08-11 EP disclosed
EP-2216330-A1 OXADIAZOLIDINEDIONE COMPOUND Astellas Pharma Inc. (JP) 2010-08-11 EP disclosed
US-20090186909-A1 Oxadiazolidinedione Compound ASTELLAS PHARMA INC. (JP) 2009-07-23 US disclosed
US-20090186909-A1 Oxadiazolidinedione Compound ASTELLAS PHARMA INC. (JP) 2009-07-23 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 (5 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-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 VDR 94/4885PIM1 4568/4885RAB9A 2989/4885
US-20090186909-A1 Oxadiazolidinedione Compound GPR119, GPR39, GPR65 VDR 109/4885PIM1 4385/4885RAB9A 4056/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 VDR 203/4885PIM1 4745/4885RAB9A 2579/4885
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 VDR 77/4885PIM1 4293/4885RAB9A 3184/4885
US-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND GPR119, GLP1R, GPR4 VDR 158/4885PIM1 3384/4885RAB9A 3697/4885

“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.