SCHEMBL20601487

SCHEMBL20601487

COC(=O)C1(c2ccc(N(CC(C)C)C3CCOCC3)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.42
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CRHR1 P34998 1/20 0.36
KMT2A Q03164 1/20 0.35
PIK3CD O00329 1/20 0.34
GAA P10253 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
EZH2 Q15910 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 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
SCHEMBL20601455 0.86 PIK3CD (0.36) IDO1HTTCRHR1PIK3CDEZH2
SCHEMBL20601476 0.84 IDO1 (0.37) IDO1LMNANPC1HTTRAB9A
SCHEMBL19243701 0.82 IDO1 (0.38) IDO1HTTCRHR1KMT2APIK3CD
SCHEMBL20601401 0.82 IDO1 (0.35) IDO1LMNANPC1HTTRAB9A
SCHEMBL19243455 0.81 IDO1 (0.40) IDO1CRHR1PIK3CD
SCHEMBL19243703 0.81 IDO1 (0.39) IDO1CRHR1PIK3CD
SCHEMBL20624225 0.81 CRHR1 (0.33) IDO1HTTCRHR1PIK3CDEZH2
SCHEMBL20601450 0.80 IDO1 (0.42) IDO1HTTCRHR1
SCHEMBL19212429 0.79 IDO1 (0.54) IDO1LMNANPC1HTTRAB9A
SCHEMBL20601387 0.79 GAA (0.36) IDO1CRHR1KMT2AGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139467-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-13 US disclosed
US-20210139467-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-13 US disclosed
EP-3645512-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-05-06 EP disclosed
WO-2019003143-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 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-20210139467-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 IDO1 1/4885LMNA 4237/4885NPC1 984/4885

“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.