SCHEMBL1950864

SCHEMBL1950864

COc1ccccc1-c1cncn1CCC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.67
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
GSK3B P49841 1/20 0.39
QPCT Q16769 1/20 0.39
HTR7 P34969 2/20 0.38
HTR6 P50406 2/20 0.38
RIPK2 O43353 1/20 0.38
HTR1A P08908 1/20 0.38
GRM2 Q14416 1/20 0.37
P2RX7 Q99572 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL1948377 0.83 IDO1 (0.49) IDO1CYP11B1CYP11B2GSK3BQPCT
SCHEMBL12544401 0.82 IDO1 (0.72) IDO1CYP11B1CYP11B2GSK3BQPCT
SCHEMBL1948414 0.81 IDO1 (1.00) IDO1CYP11B1CYP11B2HTR7HTR6
SCHEMBL1502448 0.80 IDO1 (0.56) IDO1HTR1AP2RX7MEN1KMT2A
SCHEMBL1950750 0.77 IDO1 (0.65) IDO1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL18361608 0.76 IDO1 (0.60) IDO1HTR7HTR6HTR1ACYP1A2
SCHEMBL1502262 0.73 IDO1 (0.47) IDO1CYP11B1CYP11B2HTR7HTR6
SCHEMBL19295952 0.68 IDO1 (0.36) IDO1RIPK2GRM2P2RX7CYP1A2
SCHEMBL16284861 0.68 HDAC3 (0.58) GRM2KMT2A
SCHEMBL18355877 0.67 IDO1 (0.55) IDO1HTR7HTR6HTR1ALDLR

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-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US claimed
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-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
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
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 IDO1 1/4885CYP11B1 1122/4885CYP11B2 1149/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885CYP11B1 1122/4885CYP11B2 1149/4885

“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.