SCHEMBL286695

SCHEMBL286695

COC(=O)C1OCCc2cc(Br)c(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CYP19A1 P11511 3/20 0.40
HTR2C P28335 8/20 0.39
HTR2A P28223 6/20 0.39
HTR2B P41595 6/20 0.39
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
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
SCHEMBL286798 0.88 MTNR1A (0.43) TSHRMTNR1AMTNR1BCYP19A1HTR2C
SCHEMBL286893 0.83 TSHR (0.38) TSHRMTNR1AMTNR1BCYP19A1HTR2C
SCHEMBL16534515 0.78 RAB9A (0.48) TSHRHTR2CHTR2AHTR2BKDM4E
SCHEMBL31730735 0.78 RAB9A (0.48) TSHRMAPTMAPK1HTT
SCHEMBL286400 0.76 CYP19A1 (0.44) MTNR1AMTNR1BCYP19A1HTR2CHTR2A
SCHEMBL2730679 0.71 TSHR (0.34) TSHRHTR2BCYP1A2MAPTCYP2C19
SCHEMBL22491754 0.70 RAB9A (0.40) TSHRMTNR1BCYP1A2CYP2C19MAPK1
SCHEMBL296739 0.70 RAB9A (0.40) TSHRMTNR1BCYP1A2CYP2C19MAPK1
SCHEMBL296779 0.70 MTNR1A (0.40) MTNR1AMTNR1BCYP19A1HTR2CHTR2A
SCHEMBL31562809 0.70 KMT2A (0.48) HTR2CHTR2AHTR2BKDM4ECYP1A2

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

“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.