SCHEMBL18322694

SCHEMBL18322694

COC(=O)C1(Oc2ccccc2CN)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.40
CTSD P07339 1/20 0.40
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RCE1 Q9Y256 1/20 0.38
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
CYP3A4 P08684 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TSHR P16473 1/20 0.35
KCNA3 P22001 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL18322710 0.82 SMN1; SMN2 (0.46) ALDH1A1MEN1KMT2ATSHRKCNH2
SCHEMBL30890728 0.79 BACE1 (0.42) CYP2D6CTSDHPGDALDH1A1KDM4E
SCHEMBL26123722 0.78 KMT2A (0.38) HPGDALDH1A1KDM4EGAANPC1
SCHEMBL15397098 0.78 ADAM17 (0.40) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL26126678 0.77 HPGD (0.40) HPGDALDH1A1GAANPC1MEN1
SCHEMBL18322478 0.77 CPB2 (0.37) CYP2D6HPGDMEN1KMT2ATSHR
SCHEMBL20182572 0.75 ALDH1A1 (0.43) HPGDALDH1A1KDM4EGAANPC1
SCHEMBL31421785 0.73 MEN1 (0.43) HPGDALDH1A1KDM4EGAAMEN1
SCHEMBL26124155 0.73 MEN1 (0.43) HPGDALDH1A1KDM4EGAAMEN1
SCHEMBL22513459 0.73 ITGA4 (0.33) CYP2D6MEN1KMT2ATSHRKCNH2

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 CYP2D6 367/4885CTSD 4222/4885HPGD 275/4885
US-10604509-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 CYP2D6 367/4885CTSD 4222/4885HPGD 275/4885
US-20230047296-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 CYP2D6 447/4885CTSD 4081/4885HPGD 223/4885
US-20200079759-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 CYP2D6 447/4885CTSD 4081/4885HPGD 223/4885

“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.