SCHEMBL4520862

SCHEMBL4520862

CC(C)(C)OC(=O)N[C@@H]1C=C[C@@H](O)C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 5/20 0.55
NFKB2 Q00653 5/20 0.55
RELA Q04206 5/20 0.55
BTK Q06187 1/20 0.43
KDM1A O60341 2/20 0.40
GAA P10253 2/20 0.39
MAOB P27338 1/20 0.38
EPHX2 P34913 1/20 0.38
CTSK P43235 2/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL5601305 1.00 NFKB1 (0.55) NFKB1NFKB2RELABTKKDM1A
SCHEMBL10081129 1.00 NFKB1 (0.55) NFKB1NFKB2RELABTKKDM1A
SCHEMBL5600646 1.00 NFKB1 (0.55) NFKB1NFKB2RELABTKKDM1A
SCHEMBL5601052 1.00 NFKB1 (0.55) NFKB1NFKB2RELABTKKDM1A
SCHEMBL14586680 1.00 NFKB1 (0.55) NFKB1NFKB2RELABTKKDM1A
SCHEMBL4713242 0.85 NFKB1 (0.54) NFKB1NFKB2RELABTKKDM1A
SCHEMBL4713236 0.85 NFKB1 (0.54) NFKB1NFKB2RELABTKKDM1A
SCHEMBL4713238 0.85 NFKB1 (0.54) NFKB1NFKB2RELABTKKDM1A
SCHEMBL14459580 0.85 NFKB1 (0.54) NFKB1NFKB2RELABTKKDM1A
SCHEMBL14459596 0.85 NFKB1 (0.54) NFKB1NFKB2RELABTKKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3350178-B1 NOVEL IMIDAZO [4,5-C]QUINOLINE AND IMIDAZO [4,5-C][1,5]NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER (US) 2021-10-20 EP disclosed
US-10039753-B2 Imidazo[4,5-c]quinoline and imidazo[4,5-c][1,5]naphthyridine derivatives as LRRK2 inhibitors PFIZER INC. (US) 2018-08-07 US disclosed
US-10039753-B2 Imidazo[4,5-c]quinoline and imidazo[4,5-c][1,5]naphthyridine derivatives as LRRK2 inhibitors PFIZER INC. (US) 2018-08-07 US disclosed
WO-2017046675-A1 NOVEL IMIDAZO [4,5-C] QUINOLINE AND IMIDAZO [4,5-C][1,5] NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER INC. (US) 2017-03-23 WO disclosed
US-20170073343-A1 Novel Imidazo[4,5-c]Quinoline And Imidazo[4,5-c][1,5]Naphthyridine Derivatives As LRRK2 Inhibitors PFIZER INC. (US) 2017-03-16 US disclosed
US-20170073343-A1 Novel Imidazo[4,5-c]Quinoline And Imidazo[4,5-c][1,5]Naphthyridine Derivatives As LRRK2 Inhibitors PFIZER INC. (US) 2017-03-16 US disclosed
US-7504432-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-03-17 US disclosed
US-20070129397-A1 Ester derivatives MSD K.K. (JP) 2007-06-07 US disclosed
US-7192969-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20050065211-A1 Ester derivatives MSD K.K. (JP) 2005-03-24 US disclosed
US-6846835-B2 Treating chronic obstructive pulmonary disease, chronic bronchitis, asthma, chronic respiratory tract obstruction, fibroid lung, pulmonary emphysema or rhinitis BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-01-25 US disclosed
US-20030191316-A1 Ester derivatives MSD K.K. (JP) 2003-10-09 US disclosed
EP-1302458-A1 ESTER DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 EP 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 (5 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-20170073343-A1 Novel Imidazo[4,5-c]Quinoline And Imidazo[4,5-c][1,5]Naphthyridine Derivatives As LRRK2 Inhibitors LRRK2, PARK7, SNCA NFKB1 244/4885NFKB2 646/4885RELA 378/4885
US-20070129397-A1 Ester derivatives CHRM3, CHRM2, CHRM1 NFKB1 3509/4885NFKB2 2119/4885RELA 1918/4885
US-10039753-B2 Imidazo[4,5-c]quinoline and imidazo[4,5-c][1,5]naphthyridine derivatives as LRRK2 inhibitors LRRK2, PARK7, SNCA NFKB1 280/4885NFKB2 755/4885RELA 478/4885
US-20030191316-A1 Ester derivatives CHRM3, CHRM2, CHRM1 NFKB1 4169/4885NFKB2 3189/4885RELA 3210/4885
US-20050065211-A1 Ester derivatives CHRM3, CHRM2, CHRM1 NFKB1 3525/4885NFKB2 2186/4885RELA 1941/4885

“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.