SCHEMBL1315541

SCHEMBL1315541

CC1=N[C@@H](c2ccccc2)COC1=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.56
MAPT P10636 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.44
CYP19A1 P11511 2/20 0.42
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL485591 1.00 TAAR1 (0.56) TAAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL485589 1.00 TAAR1 (0.56) TAAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL20289497 0.79 TAAR1 (0.61) TAAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL8862845 0.79 TAAR1 (0.61) TAAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL6630553 0.79 TAAR1 (0.61) TAAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL2848530 0.78 TAAR1 (0.51) TAAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL11941179 0.78 TAAR1 (0.51) TAAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL1314696 0.78 TAAR1 (0.51) TAAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL2848529 0.78 TAAR1 (0.51) TAAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL19367694 0.75 MAPT (0.67) TAAR1MAPTNPC1RAB9AALDH1A1

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 22 patents — showing the first 20. 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
US-8399612-B2 Asymmetric synthesis of peptides UNIVERSITY OF READING (GB) 2013-03-19 US disclosed
US-8399612-B2 Asymmetric synthesis of peptides UNIVERSITY OF READING (GB) 2013-03-19 US 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-20120190816-A9 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING 2012-07-26 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-20110275784-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING 2011-11-10 US disclosed
US-20110275784-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING 2011-11-10 US disclosed
EP-2161277-A2 Asymmetric synthesis of peptides University of Reading (GB) 2010-03-10 EP disclosed
US-7612226-B2 Amino acid derivatives PFIZER INC. (US) 2009-11-03 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-1879567-A1 AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-01-23 EP disclosed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
US-20060247291-A1 Amino acid derivatives PFIZER, INC. 2006-11-02 US disclosed
WO-2006114707-A1 AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-02 WO disclosed
WO-2006092692-A1 USE OF COMBINATIONS OF PDE7 INHIBITORS AND ALPHA-2-DELTY LIGANDS FOR THE TREATMENT OF NEUROPATHIC PAIN PFIZER LIMITED (GB) 2006-09-08 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 (5 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 1041/4885MAPT 4877/4885NPC1 3210/4885
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE TAAR1 4546/4885MAPT 2065/4885NPC1 37/4885
US-20060247291-A1 Amino acid derivatives OPRL1, BCAT2, BCAT1 TAAR1 207/4885MAPT 2377/4885NPC1 3847/4885
US-20080281075-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES PTMS, NGLY1, QPCT TAAR1 1041/4885MAPT 4877/4885NPC1 3210/4885
US-20120190816-A9 ASYMMETRIC SYNTHESIS OF PEPTIDES PTMS, NGLY1, QPCT TAAR1 1041/4885MAPT 4877/4885NPC1 3210/4885

“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.