SCHEMBL1950227

SCHEMBL1950227

CC(=O)NC1CCC(=CCO)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.43
MTNR1A P48039 4/20 0.42
MTNR1B P49286 4/20 0.42
ESR2 Q92731 1/20 0.40
ATM Q13315 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
DRD2 P14416 2/20 0.35
KDM1A O60341 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
DRD3 P35462 1/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL17592404 0.80 TLR4 (0.39) TLR4MTNR1AMTNR1BALDH1A1MEN1
SCHEMBL658632 0.72 MTNR1A (0.50) TLR4MTNR1AMTNR1BATMALDH1A1
SCHEMBL14720508 0.72 MTNR1A (0.50) TLR4MTNR1AMTNR1BATMALDH1A1
SCHEMBL5949519 0.72 MTNR1A (0.50) TLR4MTNR1AMTNR1BATMALDH1A1
SCHEMBL12545681 0.72 ESR2 (0.53) TLR4MTNR1AMTNR1BESR2ATM
SCHEMBL9800192 0.71 ESR2 (0.40) ESR2ALDH1A1GAA
SCHEMBL14274551 0.71 MTNR1A (0.49) TLR4MTNR1AMTNR1BATMALDH1A1
SCHEMBL284319 0.71 ATM (0.56) TLR4MTNR1AMTNR1BATMALDH1A1
SCHEMBL50350 0.71
SCHEMBL284318 0.71 ATM (0.56) TLR4MTNR1AMTNR1BATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
CN-102083429-B Ido inhibitors NEWLINK GENETICS 2014-05-28 CN disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
CN-102083429-A Ido inhibitors NEWLINK GENETICS 2011-06-01 CN disclosed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 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 (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-20140323740-A1 IDO Inhibitors IDO1, IDO2, INMT TLR4 2123/4885MTNR1A 111/4885MTNR1B 311/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT TLR4 2123/4885MTNR1A 111/4885MTNR1B 311/4885

“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.