SCHEMBL1521158

SCHEMBL1521158

NOC(CCN1CCOCC1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
ACHE P22303 1/20 0.50
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL1521184 0.84 POLB (0.54) ALDH1A1MAPTKMT2APOLB
SCHEMBL29664665 0.83 ADRB1 (0.64) SIGMAR1
SCHEMBL14305103 0.80 MEN1 (0.59) ALDH1A1ACHEKMT2ASIGMAR1
SCHEMBL2608042 0.80 ACHE (0.54) ALDH1A1ACHEMAPTKMT2APOLB
SCHEMBL18799364 0.80 ACHE (0.54) ALDH1A1ACHEMAPTKMT2APOLB
SCHEMBL22322972 0.77 ALDH1A1 (0.54) ALDH1A1ACHEMAPTKMT2A
SCHEMBL1520775 0.76 HTR1A (0.62) ALDH1A1ACHE
SCHEMBL18675972 0.76 ACHE (0.54) ALDH1A1ACHEMAPTKMT2APOLB
SCHEMBL13343050 0.76 HTR1A (0.62) ALDH1A1ACHE
SCHEMBL13342873 0.76 HTR1A (0.62) ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227233-B1 IDO INHIBITORS NEWLINK GENETICS (US) 2013-02-13 EP claimed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US claimed
EP-2227233-A2 IDO INHIBITORS Newlink Genetics (US) 2010-09-15 EP claimed
WO-2009073620-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-06-11 WO claimed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
EP-2227233-B1 IDO INHIBITORS NEWLINK GENETICS (US) 2013-02-13 EP disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US 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-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT ALDH1A1 1077/4885ACHE 363/4885MAPT 2968/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT ALDH1A1 1238/4885ACHE 366/4885MAPT 3083/4885

“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.