SCHEMBL9218512

SCHEMBL9218512

CC=C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
GRM5 P41594 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.56
HDAC2 Q92769 1/20 0.55
TMEM97 Q5BJF2 5/20 0.50
SIGMAR1 Q99720 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
HTR2C P28335 2/20 0.47
GRIN2B Q13224 2/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47

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
SCHEMBL4514146 0.92 TMEM97 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4514149 0.92 TMEM97 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL21551374 0.88 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL9572627 0.86 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7311393 0.86 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1813588 0.84 SMN1; SMN2 (0.55) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL11227701 0.84 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15713529 0.83 MEN1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1700533 0.83 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3970912 0.83 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3555078-B1 BISARYL HETEROCYCLES AS NRF2 ACTIVATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-03-27 EP disclosed
US-11117905-B2 Bisaryl heterocycles as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-09-14 US disclosed
US-20200062781-A1 BISARYL HETEROCYCLES AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2020-02-27 US disclosed
EP-3555078-A1 BISARYL HETEROCYCLES AS NRF2 ACTI GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-10-23 EP disclosed
WO-2018109643-A1 BISARYL HETEROCYCLES AS NRF2 ACTI GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-21 WO disclosed
EP-0641339-A1 AZASPIRO QUINOLONE ANTIBACTERIAL AGENTS PFIZER INC. (US) 1995-03-08 EP disclosed
WO-1992022550-A1 AZASPIRO QUINOLONE ANTIBACTERIAL AGENTS PFIZER INC. (US) 1992-12-23 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-20200062781-A1 BISARYL HETEROCYCLES AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 MEN1 4383/4885KMT2A 1709/4885NPSR1 1195/4885
US-11117905-B2 Bisaryl heterocycles as NRF2 activators NFE2L2, KEAP1, NQO1 MEN1 4383/4885KMT2A 1709/4885NPSR1 1195/4885

“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.