SCHEMBL286554

SCHEMBL286554

Brc1cccc2c1CCOC2CN1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.38
KCNJ1 P48048 3/20 0.37
DRD1 P21728 3/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HTR6 P50406 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
POLB P06746 1/20 0.33
CXCR4 P61073 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CYP2A13 Q16696 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL2891099 0.91 KCNJ1 (0.40) GID4KCNJ1DRD1TAAR1HTR2A
SCHEMBL297981 0.82 KCNJ1 (0.41) KCNJ1DRD1TAAR1HTR2AHTR2C
SCHEMBL299486 0.81 KCNJ1 (0.38) GID4KCNJ1DRD1TAAR1HTR2A
SCHEMBL9683553 0.79 DRD2 (0.47) DRD1TAAR1ALDH1A1HTR2AHTR2B
SCHEMBL298490 0.78 DRD1 (0.45) GID4DRD1ALDH1A1HTR2AHTR2C
SCHEMBL10286951 0.75 KCNJ1 (0.40) KCNJ1DRD1TAAR1ALDH1A1HTR2A
SCHEMBL15319521 0.75 DRD1 (0.42) GID4DRD1TAAR1ALDH1A1HTR2A
SCHEMBL20700474 0.75 DRD1 (0.60) GID4DRD1TAAR1HTR2AHTR2C
SCHEMBL30782867 0.75 DRD1 (0.60) GID4DRD1TAAR1HTR2AHTR2C
Hydrochloric Acid SCHEMBL2733015 0.74 KCNJ1 (0.39) KCNJ1DRD1TAAR1ALDH1A1HTR2A

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 7 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
EP-2427444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO 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 GID4 2416/4885KCNJ1 2/4885DRD1 2283/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 GID4 2416/4885KCNJ1 2/4885DRD1 2283/4885

“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.