SCHEMBL2891099

SCHEMBL2891099

Brc1cccc2c1CCOC2CN1CCN(CC2OCCc3c(Br)cccc32)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 3/20 0.40
DRD1 P21728 4/20 0.39
TAAR1 Q96RJ0 1/20 0.39
GID4 Q8IVV7 1/20 0.36
CYP2A13 Q16696 1/20 0.36
DRD2 P14416 4/20 0.35
DRD4 P21917 4/20 0.35
HTR1A P08908 2/20 0.35
HTR2A P28223 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2B P41595 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL286554 0.91 GID4 (0.38) KCNJ1DRD1TAAR1GID4CYP2A13
SCHEMBL299486 0.90 KCNJ1 (0.38) KCNJ1DRD1TAAR1GID4CYP2A13
SCHEMBL20700474 0.80 DRD1 (0.60) DRD1TAAR1GID4HTR2AADRA2A
SCHEMBL298490 0.80 DRD1 (0.45) DRD1GID4HTR2AADRA2AADRA2B
SCHEMBL30782867 0.80 DRD1 (0.60) DRD1TAAR1GID4HTR2AADRA2A
SCHEMBL15319521 0.80 DRD1 (0.42) DRD1TAAR1GID4HTR2AHTR2B
SCHEMBL2897011 0.80 KCNJ1 (0.42) KCNJ1DRD1TAAR1DRD2DRD4
SCHEMBL298657 0.79 KCNJ1 (0.38) KCNJ1DRD1GID4DRD2HTR2A
SCHEMBL20699999 0.77 TAAR1 (0.51) DRD1TAAR1GID4DRD2HTR1A
SCHEMBL286681 0.77 DRD1 (0.39) DRD1TAAR1GID4HTR2AHTR2B

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 KCNJ1 2/4885DRD1 2283/4885TAAR1 889/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885DRD1 2283/4885TAAR1 889/4885

“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.