SCHEMBL2731329

SCHEMBL2731329

N#Cc1ccc2c(c1)CC[C@H](NC(=O)O)C2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
ACHE P22303 4/20 0.48
MTNR1A P48039 5/20 0.46
MTNR1B P49286 5/20 0.46
ADRB3 P13945 1/20 0.44
DRD2 P14416 4/20 0.42
DRD3 P35462 2/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MCHR1 Q99705 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40

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
SCHEMBL2730699 1.00 CA1 (0.48) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL1743661 1.00 CA1 (0.48) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL3339874 0.90 CA1 (0.43) CA1CA2ADRB3DRD2DRD3
SCHEMBL1337530 0.82 DRD2 (0.60) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL4781124 0.81 DRD2 (0.45) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL17478336 0.79 CA1 (0.50) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL28888447 0.79 CA1 (0.50) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL20722885 0.79 CA1 (0.50) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL20722746 0.79 CA1 (0.50) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL1741607 0.79 CA1 (0.50) CA1CA2ACHEMTNR1AMTNR1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632465-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-30 EP disclosed
EP-2632465-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130225561-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2013-08-29 US disclosed
WO-2012058116-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO 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 (1 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-20130225561-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 CA1 3014/4885CA2 1341/4885ACHE 4836/4885

“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.