SCHEMBL1590831

SCHEMBL1590831

O=C(NC1CCc2cc(Br)ccc21)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
NAAA Q02083 1/20 0.44
EPHX1 P07099 1/20 0.44
EPHX2 P34913 2/20 0.43
CPB1 P15086 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TLR4 O00206 1/20 0.42

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
SCHEMBL27812899 0.91 CA1 (0.44) CA1CA2ACHEALDH1A1GAA
SCHEMBL31602967 0.91 ALDH1A1 (0.48) CA1CA2ACHEALDH1A1GAA
SCHEMBL1591232 0.86 CA1 (0.48) CA1CA2ACHEALDH1A1GAA
SCHEMBL5457149 0.86 CA1 (0.48) CA1CA2ACHEALDH1A1GAA
SCHEMBL7890484 0.85 CA1 (0.47) CA1CA2ACHEALDH1A1GAA
SCHEMBL19540842 0.84 LMNA (0.49) ALDH1A1GAATSHRNAAAEPHX1
SCHEMBL22517099 0.84 CCR2 (0.51) TRPV1
SCHEMBL29652291 0.84 CCR2 (0.51) TRPV1
SCHEMBL1590956 0.83 CA1 (0.51) CA1CA2ACHEALDH1A1GAA
SCHEMBL29792352 0.83 TRPV1 (0.46) CA1CA2ALDH1A1TRPV1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297110-B1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS MERCK SHARP & DOHME (NL) 2015-05-20 EP disclosed
EP-2297110-B1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS MERCK SHARP & DOHME (NL) 2015-05-20 EP disclosed
US-8633237-B2 Indane derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-21 US disclosed
US-8633237-B2 Indane derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-21 US disclosed
EP-2417101-B1 INDANE DERIVATIVES MERCK SHARP & DOHME (NL) 2013-10-23 EP disclosed
EP-2417101-B1 INDANE DERIVATIVES MERCK SHARP & DOHME (NL) 2013-10-23 EP disclosed
US-8536214-B2 Indane derivatives as AMPA receptor modulators N.V. ORGANON (NL) 2013-09-17 US disclosed
US-8536214-B2 Indane derivatives as AMPA receptor modulators N.V. ORGANON (NL) 2013-09-17 US disclosed
US-20120202781-A1 INDANE DERIVATIVES MSD OSS B.V. (NL) 2012-08-09 US disclosed
US-20120202781-A1 INDANE DERIVATIVES MSD OSS B.V. (NL) 2012-08-09 US disclosed
US-20110092539-A1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS N.V. ORGANON (NL) 2011-04-21 US disclosed
US-20110092539-A1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS N.V. ORGANON (NL) 2011-04-21 US disclosed
WO-2010115952-A1 INDANE DERIVATIVES N.V. ORGANON (NL) 2010-10-14 WO disclosed
WO-2009147167-A1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS N.V. ORGANON (NL) 2009-12-10 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 (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-20120202781-A1 INDANE DERIVATIVES CHRNA5, CHRNA2, GRIK5 CA1 924/4885CA2 1577/4885ACHE 78/4885
US-20110092539-A1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS GRIK5, GRIN3A, GRIK2 CA1 982/4885CA2 1683/4885ACHE 195/4885

“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.