SCHEMBL286798

SCHEMBL286798

COc1cc2c(cc1Br)CCOC2C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
TSHR P16473 1/20 0.41
CYP19A1 P11511 3/20 0.41
HTR2C P28335 8/20 0.40
HTR2A P28223 6/20 0.40
HTR2B P41595 6/20 0.40
CYP1A2 P05177 1/20 0.39
STING1 Q86WV6 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL286695 0.88 TSHR (0.43) MTNR1AMTNR1BTSHRCYP19A1HTR2C
SCHEMBL286893 0.84 TSHR (0.38) MTNR1AMTNR1BTSHRCYP19A1HTR2C
SCHEMBL286400 0.77 CYP19A1 (0.44) MTNR1AMTNR1BCYP19A1HTR2CHTR2A
SCHEMBL1159398 0.74 HTR2C (0.51) TSHRHTR2CHTR2AHTR2B
SCHEMBL23286931 0.73 RAB9A (0.49) TSHRMAPK1HTT
SCHEMBL296779 0.71 MTNR1A (0.40) MTNR1AMTNR1BCYP19A1HTR2CHTR2A
SCHEMBL20482276 0.70 CYP1A2 (0.50) TSHRCYP19A1CYP1A2
SCHEMBL20480100 0.70 CYP1A2 (0.50) TSHRCYP19A1CYP1A2
SCHEMBL20480470 0.70 CYP1A2 (0.50) TSHRCYP19A1CYP1A2
SCHEMBL296709 0.70 CYP1A2 (0.39) TSHRCYP1A2

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 899/4885TSHR 1257/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 MTNR1A 1292/4885MTNR1B 899/4885TSHR 1257/4885

“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.