SCHEMBL10052291

SCHEMBL10052291

CC(C)CCN1CCCC(C(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
PARP1 P09874 1/20 0.34
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL12039804 0.88 ARG1 (0.34) ROCK2ROCK1DRD2SIGMAR1
SCHEMBL18664107 0.88 ARG1 (0.34) ROCK2ROCK1DRD2SIGMAR1
SCHEMBL19215538 0.85 DRD2 (0.32) ROCK2ROCK1DRD2DRD1DRD4
SCHEMBL14519147 0.85 DRD2 (0.47) DRD2DRD1DRD4DRD5DRD3
SCHEMBL14652141 0.83 ALDH1A1 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL20696928 0.83 KDM2B (0.35) ROCK2ROCK1DRD2DRD1DRD4
SCHEMBL12275387 0.83 DRD2 (0.33) DRD2DRD1DRD4DRD5DRD3
SCHEMBL20688091 0.83 KDM2B (0.35) ROCK2ROCK1DRD2DRD1DRD4
SCHEMBL14519148 0.83 ALDH1A1 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL25557379 0.82 PIK3CD (0.42) ROCK2ROCK1KDM4EALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3298011-B1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2021-11-17 EP disclosed
US-11078199-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2021-08-03 US disclosed
US-20190233418-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2019-08-01 US disclosed
US-10294223-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2019-05-21 US disclosed
US-10035819-B2 PPAR agonists and methods of use thereof THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-07-31 US disclosed
US-10035819-B2 PPAR agonists and methods of use thereof THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-07-31 US disclosed
US-20180170857-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-06-21 US disclosed
US-20180170857-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-06-21 US disclosed
US-20180155340-A1 QUINOLONE DERIVATIVES AS FGFR INHIBITORS PRINCIPIA BIOPHARMA INC. 2018-06-07 US disclosed
US-9938234-B2 PPAR agonists SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-04-10 US disclosed
US-20170226154-A1 PPAR AGONISTS AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-08-10 US disclosed
US-20170226154-A1 PPAR AGONISTS AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-08-10 US disclosed
US-9567334-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-02-14 US disclosed
US-9567334-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-02-14 US disclosed
US-20160229849-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-08-11 US disclosed
US-20160200725-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-07-14 US disclosed
US-20160023991-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-01-28 US disclosed
WO-2015120049-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2015-08-13 WO disclosed
US-8178531-B2 Antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20110218175-A1 ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2011-09-08 US 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 (11 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-20180155340-A1 QUINOLONE DERIVATIVES AS FGFR INHIBITORS FGFR1, FGFR3, FGFR2 ROCK2 1402/4885ROCK1 1142/4885PARP1 1324/4885
US-20180170857-A1 PPAR AGONISTS PPARG, PPARD, PPARA ROCK2 4792/4885ROCK1 4729/4885PARP1 1784/4885
US-20110218175-A1 ANTIVIRAL AGENTS EIF2AK2, HAVCR2, MAVS ROCK2 3445/4885ROCK1 2268/4885PARP1 3328/4885
US-11078199-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors FGFR1, FGFR3, FGFR2 ROCK2 1790/4885ROCK1 1438/4885PARP1 1663/4885
US-20160023991-A1 PPAR AGONISTS PPARG, PPARD, PPARA ROCK2 4792/4885ROCK1 4729/4885PARP1 1784/4885
US-20160200725-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 ROCK2 1790/4885ROCK1 1438/4885PARP1 1663/4885
US-20190233418-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 ROCK2 1790/4885ROCK1 1438/4885PARP1 1663/4885
US-10294223-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors FGFR1, FGFR3, FGFR2 ROCK2 1790/4885ROCK1 1438/4885PARP1 1663/4885
US-20170226154-A1 PPAR AGONISTS AND METHODS OF USE THEREOF PPARD, PPARG, PPARA ROCK2 4860/4885ROCK1 4826/4885PARP1 2200/4885
US-10035819-B2 PPAR agonists and methods of use thereof PPARD, PPARG, PPARA ROCK2 4853/4885ROCK1 4790/4885PARP1 3686/4885
US-20160229849-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 ROCK2 1790/4885ROCK1 1438/4885PARP1 1663/4885

“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.