SCHEMBL21146292

SCHEMBL21146292

CCOC(=O)[C@H]1CC[C@H](c2ccnc3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 3/20 0.46
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.43
USP2 O75604 1/20 0.42
CYP2C19 P33261 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TSHR P16473 1/20 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
SCHEMBL19277384 1.00 NR3C2 (0.46) NR3C2MAPTTP53KDM4EALDH1A1
SCHEMBL21052537 1.00 NR3C2 (0.46) NR3C2MAPTTP53KDM4EALDH1A1
SCHEMBL21000978 0.84 IDO1 (0.55) MAPTTP53CYP2C19
SCHEMBL17729215 0.83 KDM4E (0.48) NR3C2MAPTTP53KDM4EALDH1A1
SCHEMBL17729187 0.82 IDO1 (0.46) NR3C2KDM4EL3MBTL1CYP2C19
SCHEMBL22263467 0.82 NR3C2 (0.44) NR3C2MAPTTP53KDM4EALDH1A1
SCHEMBL31241570 0.82 NR3C2 (0.44) NR3C2MAPTTP53KDM4EALDH1A1
SCHEMBL6186988 0.81 MAPT (0.57) MAPTTP53KDM4EALDH1A1KMT2A
SCHEMBL22424992 0.80 CAMKK1 (0.48) MAPTTP53KDM4EL3MBTL1CYP2C19
SCHEMBL21289832 0.80 CAMKK1 (0.48) MAPTTP53KDM4EL3MBTL1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200291008-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-09-17 US disclosed
CN-111417626-A Modulators of indoleamine2,3-dioxygenase 葛兰素史克知识产权开发有限公司 2020-07-14 CN disclosed
WO-2019111107-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-13 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 (1 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-20200291008-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 NR3C2 1147/4885MAPT 2573/4885TP53 2459/4885

“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.