SCHEMBL2730896

SCHEMBL2730896

CC(C)(C)C(=O)Nc1cc(CCO)c(Br)cn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.49
CNR1 P21554 3/20 0.40
ABL1 P00519 1/20 0.37
KDR P35968 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GCK P35557 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAP3K5 Q99683 3/20 0.35
ADORA1 P30542 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PAX8 Q06710 1/20 0.33
KLF5 Q13887 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL30207752 0.87 CNR2 (0.49) CNR2CNR1ABL1KDRCYP1A2
SCHEMBL30207782 0.81 CNR2 (0.46) CNR2CNR1ABL1KDRCYP1A2
SCHEMBL15879718 0.81 CNR2 (0.45) CNR2CNR1ABL1KDRCYP1A2
SCHEMBL2733632 0.78 CNR2 (0.42) CNR2CNR1ABL1KDRCYP1A2
SCHEMBL2731655 0.78 CNR2 (0.51) CNR2CNR1ABL1KDRCYP1A2
SCHEMBL30207707 0.78 CNR2 (0.51) CNR2CNR1ABL1KDRCYP1A2
SCHEMBL620474 0.77 KDR (0.47) CNR2ABL1KDRCYP1A2CYP3A4
SCHEMBL16862385 0.76 CNR2 (0.41) CNR2CNR1ABL1KDRCYP1A2
SCHEMBL4733069 0.76 CNR2 (0.79) CNR2CNR1
SCHEMBL29728353 0.74 KDR (0.48) CNR2ABL1KDRCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611925-B HPK1 inhibitors and uses thereof 轩竹生物科技股份有限公司 2025-04-08 CN disclosed
CN-115611925-A HPK1 inhibitors and uses thereof 轩竹生物科技股份有限公司 2023-01-17 CN disclosed
EP-3087077-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2018-10-31 EP disclosed
US-9839629-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-20160324833-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2016-11-10 US disclosed
EP-3087077-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2016-11-02 EP disclosed
EP-2744499-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-28 EP disclosed
WO-2015096035-A1 INHIBITORS OF RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2015-07-02 WO disclosed
WO-2015100147-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2015-07-02 WO disclosed
US-9062070-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed
US-20140206618-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2014-07-24 US disclosed
EP-2744499-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-06-25 EP disclosed
EP-2632464-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
WO-2013028474-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-02-28 WO disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 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 (3 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-20160324833-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, WNK1, KCNJ1 CNR2 3553/4885CNR1 2593/4885ABL1 2920/4885
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 CNR2 3611/4885CNR1 2822/4885ABL1 1513/4885
US-20140206618-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 CNR2 3950/4885CNR1 3291/4885ABL1 2191/4885

“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.