SCHEMBL286400

SCHEMBL286400

COc1cc2c(cc1Br)CCOC2C=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.44
HTR2C P28335 9/20 0.41
HTR2A P28223 7/20 0.41
HTR2B P41595 6/20 0.41
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
BRD4 O60885 2/20 0.35

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
SCHEMBL286798 0.77 MTNR1A (0.43) CYP19A1HTR2CHTR2AHTR2BMTNR1A
SCHEMBL286695 0.76 TSHR (0.43) CYP19A1HTR2CHTR2AHTR2BMTNR1A
SCHEMBL20906483 0.74 MAOA (0.44) BRD4
SCHEMBL28775654 0.73 PDE4D (0.41) MTNR1AMTNR1BBRD4
SCHEMBL296779 0.72 MTNR1A (0.40) CYP19A1HTR2CHTR2AHTR2BMTNR1A
SCHEMBL286893 0.72 TSHR (0.38) CYP19A1HTR2CHTR2AHTR2BMTNR1A
SCHEMBL11224510 0.70 HTR2C (0.48) CYP19A1HTR2CHTR2AHTR2B
SCHEMBL7611834 0.70 CA1 (0.46) CYP19A1HTR2A
SCHEMBL298452 0.69 KDM4E (0.31)
SCHEMBL13705941 0.68 HTR2C (0.59) CYP19A1HTR2CHTR2AHTR2B

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 CYP19A1 4155/4885HTR2C 3346/4885HTR2A 3252/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 CYP19A1 4155/4885HTR2C 3346/4885HTR2A 3252/4885

“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.