SCHEMBL3073638

SCHEMBL3073638

COc1ccccc1CCOCCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.55
ALDH1A1 P00352 1/20 0.51
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
AOC3 Q16853 1/20 0.49
KCNH2 Q12809 1/20 0.47
MPO P05164 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
IDO1 P14902 2/20 0.46
ABCB1 P08183 1/20 0.45
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CHRM3 P20309 1/20 0.44

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
SCHEMBL9190330 0.91 TAAR1 (0.64) TAAR1ALDH1A1MTNR1AMTNR1BSIGMAR1
SCHEMBL694510 0.84 IDO1 (0.56) TAAR1ALDH1A1MTNR1AMTNR1BSIGMAR1
SCHEMBL852646 0.83 TAAR1 (0.64) TAAR1ALDH1A1MTNR1AMTNR1BSIGMAR1
SCHEMBL29474956 0.83 TAAR1 (0.64) TAAR1ALDH1A1MTNR1AMTNR1BSIGMAR1
SCHEMBL30572098 0.82 TSHR (0.48) ALDH1A1IDO1
SCHEMBL80578 0.79 TAAR1 (0.60) TAAR1MTNR1AMTNR1BSIGMAR1AOC3
SCHEMBL2201042 0.79 TAAR1 (0.60) TAAR1MTNR1AMTNR1BSIGMAR1AOC3
SCHEMBL30118916 0.79 TAAR1 (0.60) TAAR1MTNR1AMTNR1BSIGMAR1AOC3
SCHEMBL585113 0.79 TAAR1 (0.60) TAAR1MTNR1AMTNR1BSIGMAR1AOC3
SCHEMBL792023 0.79 TAAR1 (0.64) TAAR1ALDH1A1MTNR1AMTNR1BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20100016260-A1 AGONISTS OF SPHINGOSINE-1 PHOSPHATE RECEPTOR (SLP) PRAECIS PHARMACEUTICALS INCORPORATED (US) 2010-01-21 US disclosed
US-20100016260-A1 AGONISTS OF SPHINGOSINE-1 PHOSPHATE RECEPTOR (SLP) PRAECIS PHARMACEUTICALS INCORPORATED (US) 2010-01-21 US disclosed
US-20100016260-A1 AGONISTS OF SPHINGOSINE-1 PHOSPHATE RECEPTOR (SLP) PRAECIS PHARMACEUTICALS INCORPORATED (US) 2010-01-21 US disclosed
EP-2046766-A1 AGONISTS OF THE SPHINGOSINE- 1- PHOSPHATE RECEPTOR (SLP) Praecis Pharmaceuticals Incorporated (US) 2009-04-15 EP disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20080070866-A1 Chemical compounds PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20080070866-A1 Chemical compounds PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20080070866-A1 Chemical compounds PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
WO-2008016674-A1 AGONISTS OF THE SPHINGOSINE- 1- PHOSPHATE RECEPTOR (SLP) PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-02-07 WO disclosed
WO-2008016674-A1 AGONISTS OF THE SPHINGOSINE- 1- PHOSPHATE RECEPTOR (SLP) PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-02-07 WO disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (4 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-20090012055-A1 Organic compounds REN, ACE, ACE2 TAAR1 949/4885ALDH1A1 142/4885MTNR1A 2695/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 TAAR1 949/4885ALDH1A1 142/4885MTNR1A 2695/4885
US-20100016260-A1 AGONISTS OF SPHINGOSINE-1 PHOSPHATE RECEPTOR (SLP) S1PR1, S1PR2, S1PR5 TAAR1 169/4885ALDH1A1 2799/4885MTNR1A 1382/4885
US-20080070866-A1 Chemical compounds S1PR1, S1PR2, S1PR5 TAAR1 439/4885ALDH1A1 1459/4885MTNR1A 1778/4885

“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.