SCHEMBL3354784

SCHEMBL3354784

O=C(O)n1nc(CBr)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 16/20 0.42
KDM4E B2RXH2 1/20 0.40
F2 P00734 2/20 0.39
PLAU P00749 2/20 0.39
RORC P51449 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38

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
SCHEMBL8304178 0.85 ELANE (0.54) ELANEKDM4EF2PLAUHSD17B10
SCHEMBL28312628 0.78 SLC22A12 (0.43) RORCFABP4
SCHEMBL3347471 0.78 CHRM2 (0.43) ELANEKDM4EF2PLAU
SCHEMBL29588521 0.78 CHRM2 (0.43) ELANEKDM4EF2PLAU
SCHEMBL3354746 0.78 HSD17B10 (0.61) KDM4EHSD17B10
SCHEMBL3747599 0.76 ELANE (0.43) ELANEKDM4E
SCHEMBL3437213 0.75 ELANE (0.46) ELANEKDM4EF2PLAU
SCHEMBL9952327 0.74 ELANE (0.45) ELANEKDM4EF2PLAURORC
SCHEMBL4011064 0.74 ELANE (0.45) ELANEKDM4EF2PLAURORC
SCHEMBL1514915 0.74 ELANE (0.60) ELANEKDM4EF2PLAURORC

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-2470021-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
WO-2010067233-A1 1,2,4 TRIAZOLO [4, 3 -A] [1,5] BENZODIAZEPIN-5 (6H) -ONES AS AGONISTS OF THE CHOLECYSTOKININ-1 RECEPTOR (CCK-IR) PFIZER INC. (US) 2010-06-17 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
EP-2134711-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-12-23 EP disclosed
WO-2008122534-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-16 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-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 ELANE 4612/4885KDM4E 3804/4885F2 4062/4885

“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.