SCHEMBL296779

SCHEMBL296779

COc1cc2c(cc1Br)CCOC2CN1CCN(CC2OCCc3cc(Br)c(OC)cc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CYP19A1 P11511 3/20 0.39
HTR2C P28335 6/20 0.39
HTR2B P41595 6/20 0.39
HTR2A P28223 6/20 0.39
HTT P42858 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
HTR1D P28221 1/20 0.37

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
SCHEMBL298146 0.92 CYP19A1 (0.37) MTNR1AMTNR1BCYP19A1HTR2CHTR2B
SCHEMBL297766 0.92 HTR2C (0.46) MTNR1AMTNR1BCYP19A1HTR2CHTR2B
SCHEMBL2898778 0.86 MEN1 (0.38) MTNR1AMTNR1BHTR2AHTR1ADRD2
SCHEMBL4606848 0.83 BCHE (0.42) HTT
SCHEMBL2898321 0.81 HTR2A (0.41) HTR2ATAAR1HTR1ADRD2DRD4
SCHEMBL286987 0.81 MTNR1B (0.40) MTNR1AMTNR1BHTR2AHTTHTR1A
SCHEMBL7289317 0.81 MAOA (0.42)
SCHEMBL10993273 0.80 KCNN2 (0.44)
SCHEMBL7291340 0.79 BCHE (0.50) DRD4
SCHEMBL11224510 0.79 HTR2C (0.48) CYP19A1HTR2CHTR2BHTR2ATAAR1

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 MTNR1A 1292/4885MTNR1B 899/4885CYP19A1 4155/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 MTNR1A 1292/4885MTNR1B 899/4885CYP19A1 4155/4885

“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.