SCHEMBL20301757

SCHEMBL20301757

CC(C)CNC1CC2(C1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.40
EPHX2 P34913 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX1 P07099 1/20 0.38
NR1H2 P55055 1/20 0.38
GPR119 Q8TDV5 2/20 0.36
TNF P01375 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP30 Q70CQ3 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL29589514 0.90 EHMT2 (0.40) EHMT2EPHX2ALDH1A1MAPTMAPK1
SCHEMBL29588885 0.86 EHMT2 (0.38) EHMT2EPHX2ALDH1A1MAPTMAPK1
SCHEMBL29588616 0.86 EHMT2 (0.41) EHMT2EPHX2ALDH1A1MAPTMAPK1
SCHEMBL29589011 0.84 EHMT2 (0.41) EHMT2EPHX2ALDH1A1MAPTMAPK1
SCHEMBL29589441 0.84 EHMT2 (0.44) EHMT2EPHX2ALDH1A1MAPTMAPK1
SCHEMBL29589506 0.83 EHMT2 (0.40) EHMT2EPHX2ALDH1A1MAPTMAPK1
SCHEMBL31293700 0.82 EHMT2 (0.40) EHMT2EPHX2ALDH1A1MAPTMAPK1
SCHEMBL29588718 0.82 NR1H2 (0.43) EHMT2EPHX2EPHX1NR1H2SMN1; SMN2
SCHEMBL29588767 0.82 EHMT2 (0.40) EHMT2EPHX2ALDH1A1L3MBTL1EPHX1
SCHEMBL29589150 0.81 EHMT2 (0.39) EHMT2EPHX2EPHX1NR1H2USP2

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-10899754-B2 Modulators of indoleamine 2,3-dioxygenase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-01-26 US disclosed
US-20200115374-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-16 US disclosed
US-20200115374-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-16 US disclosed
EP-3558978-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-10-30 EP disclosed
WO-2018116107-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-28 WO disclosed
WO-2018116107-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-28 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-20200115374-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT EHMT2 429/4885EPHX2 2268/4885ALDH1A1 1762/4885
US-10899754-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, INMT EHMT2 429/4885EPHX2 2268/4885ALDH1A1 1762/4885

“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.