SCHEMBL16836282

SCHEMBL16836282

CC(C)(C)OC(=O)N1CCC(=NOCc2ccccc2)C(O)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
GPR119 Q8TDV5 5/20 0.43
STS P08842 1/20 0.43
PARP1 P09874 1/20 0.43
USP30 Q70CQ3 3/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
YAP1 P46937 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL18149195 1.00 JAK2 (0.45) JAK2JAK1GPR119STSPARP1
SCHEMBL16836138 0.82 ALDH1A1 (0.42) CYP2C9SMN1; SMN2
SCHEMBL27534101 0.80 ESR2 (0.47) JAK2JAK1GPR119STSKDM4E
SCHEMBL7433532 0.77 JAK2 (0.48) JAK2JAK1GPR119STSUSP30
SCHEMBL18484113 0.77 HSD11B1 (0.45) JAK2JAK1GPR119STSKDM4E
SCHEMBL2817602 0.76 ESR2 (0.43) JAK2JAK1GPR119STSUSP30
SCHEMBL994232 0.76 ESR2 (0.43) JAK2JAK1GPR119STSUSP30
SCHEMBL24326305 0.75 PARP1 (0.53) JAK2JAK1GPR119STSPARP1
SCHEMBL8466304 0.74 NAMPT (0.44) JAK2JAK1GPR119STSKDM4E
SCHEMBL2707159 0.74 DDB1 (0.49) JAK2JAK1GPR119STSPARP1

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-3083573-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC (US) 2024-08-07 EP disclosed
US-10000484-B2 Inhibitors of the renal outer medullary potassim channel MERCK SHARP & DOHME CORP. (US) 2018-06-19 US disclosed
EP-3083573-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2016-10-26 EP disclosed
US-20160304515-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIM CHANNEL MERCK SHARP & DOHME LLC 2016-10-20 US disclosed
WO-2015095097-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2015-06-25 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 (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-10000484-B2 Inhibitors of the renal outer medullary potassim channel KCNJ11, KCNJ1, KCNJ2 JAK2 1557/4885JAK1 1427/4885GPR119 774/4885
US-20160304515-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIM CHANNEL KCNJ11, KCNJ1, KCNJ2 JAK2 1557/4885JAK1 1427/4885GPR119 774/4885

“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.