SCHEMBL18325628

SCHEMBL18325628

c1ncc(CC2CCCCC2)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 1.00
HTR3A P46098 1/20 1.00
HRH3 Q9Y5N1 17/20 0.71

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
Immepip SCHEMBL3338054 0.83 HRH3 (1.00) HRH4HTR3AHRH3
Immepip SCHEMBL29769900 0.81 HRH3 (1.00) HRH4HTR3AHRH3
SCHEMBL12895537 0.78 HRH4 (0.65) HRH4HTR3AHRH3
SCHEMBL14415981 0.75 HRH3 (0.64) HRH4HTR3AHRH3
SCHEMBL13483292 0.75 HRH4 (0.59) HRH4HTR3AHRH3
SCHEMBL29524669 0.71
SCHEMBL22701433 0.71 HRH3 (0.80) HRH4HTR3AHRH3
SCHEMBL23802746 0.71 HRH3 (0.62) HRH4HTR3AHRH3
SCHEMBL23802802 0.71 HRH3 (0.62) HRH4HTR3AHRH3
SCHEMBL27539702 0.70 HRH4 (0.53) HRH4HTR3AHRH3

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 16 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
CN-108112251-A NRF2 conditioning agents 葛兰素史克知识产权发展有限公司 2018-06-01 CN 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 HRH4 2024/4885HTR3A 2486/4885HRH3 2744/4885
US-10604509-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 HRH4 2024/4885HTR3A 2486/4885HRH3 2744/4885
US-20230047296-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 HRH4 1708/4885HTR3A 2561/4885HRH3 2478/4885
US-20200079759-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 HRH4 1708/4885HTR3A 2561/4885HRH3 2478/4885

“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.