SCHEMBL18322692

SCHEMBL18322692

c1c[nH]c(CC2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.45
ALOX15 P16050 1/20 0.42
MAPK1 P28482 2/20 0.40
TAAR1 Q96RJ0 7/20 0.37
TERT O14746 1/20 0.35
MTOR P42345 1/20 0.35
FDPS P14324 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL18322464 0.94 HTR2B (0.41) HTR2BALOX15MAPK1TAAR1TERT
SCHEMBL1767358 0.87
SCHEMBL1901089 0.83 HTR2B (0.48) HTR2BALOX15TAAR1TERT
SCHEMBL1899026 0.83 HTR2B (0.48) HTR2BALOX15TAAR1TERTFDPS
SCHEMBL18322608 0.81 HTR2B (0.47) HTR2BALOX15TAAR1TERT
SCHEMBL7160459 0.81 HTR2B (0.47) HTR2BALOX15TAAR1TERT
SCHEMBL11099597 0.81 HTR2B (0.47) HTR2BALOX15TAAR1TERT
SCHEMBL21798836 0.80 HTR2B (0.39) HTR2BALOX15TAAR1TERTFDPS
Water SCHEMBL29258021 0.80 HTR2B (0.46) HTR2BALOX15TAAR1TERT
SCHEMBL1299385 0.80 HRH3 (0.46) HTR2BALOX15TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3782996-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-04-10 EP disclosed
US-20230047296-A1 Nrf2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 US disclosed
US-20230047296-A1 Nrf2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 US disclosed
CN-108112251-B NRF2 modulators 葛兰素史克知识产权发展有限公司 2021-03-05 CN disclosed
EP-3782996-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-02-24 EP disclosed
EP-3782996-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-02-24 EP disclosed
EP-3307739-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-10-07 EP disclosed
EP-3307739-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-10-07 EP disclosed
US-10604509-B2 Nrf2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-31 US disclosed
US-10604509-B2 Nrf2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-31 US disclosed
US-20200079759-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2020-03-12 US disclosed
US-20180179187-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-28 US disclosed
US-20180179187-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-28 US disclosed
US-20180179187-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-28 US disclosed
EP-3307739-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-04-18 EP disclosed
WO-2016202253-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-22 WO disclosed
WO-2016202253-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-22 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 (4 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-20180179187-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 HTR2B 2077/4885ALOX15 216/4885MAPK1 3174/4885
US-10604509-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 HTR2B 2077/4885ALOX15 216/4885MAPK1 3174/4885
US-20230047296-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 HTR2B 2564/4885ALOX15 192/4885MAPK1 3198/4885
US-20200079759-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 HTR2B 2564/4885ALOX15 192/4885MAPK1 3198/4885

“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.