SCHEMBL1521073

SCHEMBL1521073

CNCC(ON)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
SLC6A4 P31645 10/20 0.47
HTR2A P28223 4/20 0.44
HRH1 P35367 4/20 0.44
SLC6A2 P23975 7/20 0.42
CYP3A4 P08684 6/20 0.42
CYP2D6 P10635 6/20 0.42
SLC6A3 Q01959 5/20 0.42
CYP1A2 P05177 4/20 0.42
TSHR P16473 3/20 0.42
KCNH2 Q12809 3/20 0.42
KMT2A Q03164 2/20 0.42
CHRM1 P11229 2/20 0.42
ADRA2B P18089 2/20 0.42
HTR2C P28335 2/20 0.42
OPRM1 P35372 2/20 0.42
DRD3 P35462 2/20 0.42
OPRK1 P41145 2/20 0.42
HTR2B P41595 2/20 0.42
KLF10 Q13118 2/20 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
Hydrochloric Acid SCHEMBL14686397 0.98 TAAR1 (0.55) TAAR1SLC6A4HTR2AHRH1SLC6A2
SCHEMBL23531407 0.82 TAAR1 (0.53) TAAR1SLC6A4HTR2AHRH1SLC6A2
SCHEMBL14224818 0.82 TAAR1 (0.53) TAAR1SLC6A4HTR2AHRH1SLC6A2
SCHEMBL1520768 0.81 SLC6A4 (0.67) SLC6A4HTR2AHRH1SLC6A2CYP3A4
SCHEMBL3444935 0.80 TAAR1 (0.52) TAAR1SLC6A4HTR2AHRH1SLC6A2
Hydrochloric Acid SCHEMBL1520477 0.79 SLC6A4 (0.65) SLC6A4HTR2AHRH1SLC6A2CYP3A4
Hydrochloric Acid SCHEMBL1520479 0.79 SLC6A4 (0.65) SLC6A4HTR2AHRH1SLC6A2CYP3A4
SCHEMBL12847337 0.78 TAAR1 (0.50) TAAR1SLC6A4HTR2AHRH1SLC6A2
SCHEMBL16080688 0.78 SLC6A4 (0.69) TAAR1SLC6A4HTR2AHRH1SLC6A2
Hydrochloric Acid SCHEMBL28025901 0.78 TAAR1 (0.55) TAAR1SLC6A4HTR2AHRH1SLC6A2

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 8 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

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 TAAR1 1769/4885SLC6A4 375/4885HTR2A 291/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT TAAR1 1634/4885SLC6A4 420/4885HTR2A 243/4885

“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.