SCHEMBL1314696

SCHEMBL1314696

CC(C)C1=N[C@H](c2ccccc2)COC1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.51
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL11941179 1.00 TAAR1 (0.51) TAAR1ALDH1A1MAPTNPC1RAB9A
SCHEMBL20385774 0.78 TAAR1 (0.56) TAAR1ALDH1A1MAPTNPC1RAB9A
SCHEMBL485589 0.78 TAAR1 (0.56) TAAR1ALDH1A1MAPTNPC1RAB9A
SCHEMBL1315541 0.78 TAAR1 (0.56) TAAR1ALDH1A1MAPTNPC1RAB9A
SCHEMBL13787926 0.78 TAAR1 (0.56) TAAR1ALDH1A1MAPTNPC1RAB9A
SCHEMBL485591 0.78 TAAR1 (0.56) TAAR1ALDH1A1MAPTNPC1RAB9A
SCHEMBL12312814 0.78 TAAR1 (0.56) TAAR1ALDH1A1MAPTNPC1RAB9A
SCHEMBL2848530 0.74 TAAR1 (0.51) TAAR1ALDH1A1MAPTNPC1RAB9A
SCHEMBL2848529 0.74 TAAR1 (0.51) TAAR1ALDH1A1MAPTNPC1RAB9A
SCHEMBL20289497 0.72 TAAR1 (0.61) TAAR1ALDH1A1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161277-B1 Asymmetric synthesis of peptides UNIV READING (GB) 2013-04-10 EP disclosed
EP-2161277-B1 Asymmetric synthesis of peptides UNIV READING (GB) 2013-04-10 EP disclosed
US-8399612-B2 Asymmetric synthesis of peptides UNIVERSITY OF READING (GB) 2013-03-19 US disclosed
US-20120190816-A9 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING 2012-07-26 US disclosed
US-20110275784-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING 2011-11-10 US disclosed
US-8044173-B2 Asymmetric synthesis of peptides UNIVERSITY OF READING (GB) 2011-10-25 US disclosed
US-8044173-B2 Asymmetric synthesis of peptides UNIVERSITY OF READING (GB) 2011-10-25 US disclosed
US-8044173-B2 Asymmetric synthesis of peptides UNIVERSITY OF READING (GB) 2011-10-25 US disclosed
EP-2161277-A2 Asymmetric synthesis of peptides University of Reading (GB) 2010-03-10 EP disclosed
EP-2161277-A2 Asymmetric synthesis of peptides University of Reading (GB) 2010-03-10 EP disclosed
US-20080281075-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING (GB) 2008-11-13 US disclosed
US-20080281075-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING (GB) 2008-11-13 US disclosed
US-20080281075-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING (GB) 2008-11-13 US disclosed
EP-1937708-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES THE UNIVERSITY OF READING (GB) 2008-07-02 EP disclosed
WO-2007031698-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING (GB) 2007-03-22 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 (3 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-20110275784-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES PTMS, NGLY1, QPCT TAAR1 1041/4885ALDH1A1 4569/4885MAPT 4877/4885
US-20080281075-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES PTMS, NGLY1, QPCT TAAR1 1041/4885ALDH1A1 4569/4885MAPT 4877/4885
US-20120190816-A9 ASYMMETRIC SYNTHESIS OF PEPTIDES PTMS, NGLY1, QPCT TAAR1 1041/4885ALDH1A1 4569/4885MAPT 4877/4885

“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.