SCHEMBL1502220

SCHEMBL1502220

CC(C)Cn1cncc1-c1cccc(OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
IDO1 P14902 1/20 0.47
MAOB P27338 3/20 0.45
HRH3 Q9Y5N1 1/20 0.45
HPGDS O60760 1/20 0.44
BCHE P06276 3/20 0.42
APP P05067 2/20 0.42
SLC16A3 O15427 1/20 0.42
SLC16A1 P53985 1/20 0.42
MCTS1 Q9ULC4 1/20 0.42
PDE4B Q07343 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL1501849 0.86 CYP11B1 (0.50) CYP11B1CYP11B2IDO1MAOBHPGDS
SCHEMBL1502376 0.85 CYP11B1 (0.46) CYP11B1CYP11B2IDO1HPGDSSLC16A3
SCHEMBL1501897 0.84 CYP11B1 (0.48) CYP11B1CYP11B2IDO1MAOBHPGDS
SCHEMBL29365776 0.84 MAOB (0.48) MAOBHRH3BCHEPDE4BMAPK1
SCHEMBL1502227 0.83 CYP11B1 (0.47) CYP11B1CYP11B2IDO1MAOBHPGDS
SCHEMBL1502297 0.82 CYP11B1 (0.46) CYP11B1CYP11B2IDO1MAOBHPGDS
SCHEMBL1501829 0.82 CYP11B1 (0.38) CYP11B1CYP11B2IDO1HPGDS
SCHEMBL1502215 0.81 HPGDS (0.54) IDO1MAOBHPGDSBCHEMAPK1
SCHEMBL13531373 0.81 NPC1 (0.44) CYP11B1CYP11B2IDO1HPGDS
SCHEMBL1948994 0.80 CYP11B1 (0.60) CYP11B1CYP11B2IDO1HPGDS

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 6 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-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-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
EP-2291187-A2 IDO INHIBITORS Newlink Genetics (US) 2011-03-09 EP 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 CYP11B1 1122/4885CYP11B2 1149/4885IDO1 1/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT CYP11B1 1122/4885CYP11B2 1149/4885IDO1 1/4885

“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.