SCHEMBL16897477

SCHEMBL16897477

Brc1ccc2c(c1)CCc1nnnn1-2

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 11/20 0.59
SRD5A1 P18405 1/20 0.38
ROCK1 Q13464 1/20 0.37
TSHR P16473 1/20 0.35
HSD17B3 P37058 1/20 0.35
PNMT P11086 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
AVPR1A P37288 1/20 0.33
SLC22A12 Q96S37 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
SCHEMBL16906540 0.81 KCNJ1 (0.63) KCNJ1SRD5A1TSHR
SCHEMBL19117259 0.77 KCNJ1 (0.59) KCNJ1SRD5A1TSHRAVPR1A
SCHEMBL19118083 0.77 KCNJ1 (0.59) KCNJ1
SCHEMBL8115187 0.77 KCNJ1 (0.59) KCNJ1SRD5A1TSHR
SCHEMBL17442942 0.76 KCNJ1 (0.51) KCNJ1TSHR
SCHEMBL17442935 0.76 KCNJ1 (0.54) KCNJ1SRD5A1TSHRHSD17B3
SCHEMBL16906602 0.75 KCNJ1 (1.00) KCNJ1
SCHEMBL17442915 0.75 KCNJ1 (0.53) KCNJ1
SCHEMBL11772012 0.71 CYP11B2 (0.56) SRD5A1ROCK1TSHRHSD17B3AVPR1A
SCHEMBL13727392 0.70 CYP11B2 (0.56) TSHRAVPR1A

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-109608457-B Medicine for treating pneumonia and preparation method thereof 牡丹江医学院 2020-05-12 CN disclosed
EP-3169672-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2020-04-29 EP disclosed
US-10208064-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. 2019-02-19 US disclosed
EP-3092230-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2018-07-11 EP disclosed
EP-3092230-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2018-07-11 EP disclosed
US-9718808-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-9718808-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-9718808-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-20170197989-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2017-07-13 US disclosed
EP-3169672-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2017-05-24 EP disclosed
US-20170037037-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2017-02-09 US disclosed
US-20170037037-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2017-02-09 US disclosed
US-20170037037-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2017-02-09 US disclosed
EP-3092230-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2016-11-16 EP disclosed
WO-2016010802-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-01-21 WO disclosed
WO-2016008064-A1 INHIBITORS OF RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-01-21 WO disclosed
WO-2015105736-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2015-07-16 WO disclosed
WO-2015105736-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2015-07-16 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-10208064-B2 Inhibitors of the renal outer medullary potassium channel KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885SRD5A1 845/4885ROCK1 698/4885
US-20170197989-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885SRD5A1 845/4885ROCK1 698/4885
US-20170037037-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885SRD5A1 845/4885ROCK1 698/4885

“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.