SCHEMBL16985405

SCHEMBL16985405

CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])cn2)C(O)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.42
GPR119 Q8TDV5 6/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
USP30 Q70CQ3 2/20 0.38
NR1D1 P20393 2/20 0.37
JAK2 O60674 4/20 0.37
JAK1 P23458 4/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL26341561 0.91 ALDH1A1 (0.45) ALDH1A1LMNAMAPTGPR119DDB1
SCHEMBL16985361 0.89 ALDH1A1 (0.43) ALDH1A1LMNAMAPTGPR119DDB1
SCHEMBL29107817 0.89 ALDH1A1 (0.43) ALDH1A1LMNAMAPTGPR119DDB1
SCHEMBL30955736 0.89 ALDH1A1 (0.43) ALDH1A1LMNAMAPTGPR119DDB1
SCHEMBL16985425 0.89 ALDH1A1 (0.43) ALDH1A1LMNAMAPTGPR119DDB1
SCHEMBL16794076 0.89 ALDH1A1 (0.43) ALDH1A1LMNAMAPTGPR119DDB1
SCHEMBL30955772 0.89 ALDH1A1 (0.43) ALDH1A1LMNAMAPTGPR119DDB1
SCHEMBL15192197 0.86 ALDH1A1 (0.46) ALDH1A1LMNAMAPTGPR119DDB1
SCHEMBL18383140 0.86 ALDH1A1 (0.46) ALDH1A1LMNAMAPTGPR119DDB1
SCHEMBL16794183 0.86 ALDH1A1 (0.46) ALDH1A1LMNAMAPTGPR119DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025017116-A1 PHARMACEUTICAL COMPOUNDS HAVING ACTIVITY AS WEE1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2025-01-23 WO disclosed
US-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-14 US disclosed
EP-3099695-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-04-08 EP disclosed
US-20180354956-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-12-13 US disclosed
US-10087186-B2 Compounds as LRRK2 kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-02 US disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
WO-2015113452-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-08-06 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-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease LRRK2, PARK7, PINK1 ALDH1A1 4033/4885LMNA 1157/4885MAPT 9/4885
US-10087186-B2 Compounds as LRRK2 kinase inhibitors LRRK2, PINK1, PARK7 ALDH1A1 4132/4885LMNA 716/4885MAPT 11/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 ALDH1A1 3795/4885LMNA 802/4885MAPT 6/4885
US-20180354956-A1 COMPOUNDS LRRK2, PARK7, PINK1 ALDH1A1 3795/4885LMNA 802/4885MAPT 6/4885

“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.