Sugi Predict

Sugi Predict / Compounds / SCHEMBL2898778

SCHEMBL2898778

SCHEMBL2898778

COc1cc2c(cc1Br)CCOC2CN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ PDE4B Q07343 2/20 0.37
▸ SUV39H2 Q9H5I1 5/20 0.36
▸ GPR119 Q8TDV5 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ TERT O14746 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ DRD2 P14416 3/20 0.35
▸ HTR1D P28221 3/20 0.35
▸ HTR2A P28223 3/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ STS P08842 1/20 0.35

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
SCHEMBL300052 0.86 GPR119 (0.40) MEN1KMT2AALDH1A1PDE4BGPR119
SCHEMBL296779 0.86 MTNR1A (0.40) MTNR1AMTNR1BDRD2HTR1DHTR2A
SCHEMBL298146 0.83 CYP19A1 (0.37) MTNR1AMTNR1BDRD2HTR1DHTR2A
SCHEMBL286987 0.79 MTNR1B (0.40) MEN1KMT2AMTNR1AMTNR1BDRD2
SCHEMBL2733021 0.78 TERT (0.41) ALDH1A1GPR119CNR1TERT
SCHEMBL2732340 0.72 GPR119 (0.40) ALDH1A1GPR119CNR1TERT
SCHEMBL19869951 0.72 PKM (0.47) MEN1KMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL4606848 0.71 BCHE (0.42) MEN1KMT2AALDH1A1
SCHEMBL2732158 0.70 GPR119 (0.42) ALDH1A1GPR119CNR1TERT
SCHEMBL2728144 0.70 CNR1 (0.40) MEN1KMT2AALDH1A1GPR119CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427444-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-16 — — EP disclosed
US-9018211-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-28 — — US disclosed
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-05-22 — — US disclosed
US-8673920-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2014-03-18 — — US disclosed
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2010-11-11 — — 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-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 MEN1 285/4885KMT2A 1319/4885MTNR1A 1292/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 MEN1 285/4885KMT2A 1319/4885MTNR1A 1292/4885

“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.