SCHEMBL3078617

SCHEMBL3078617

Cn1cc(C=O)c(=O)n(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.47
ALDH1A1 P00352 4/20 0.41
IMPDH2 P12268 1/20 0.41
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.33
PIK3CD O00329 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CNR1 P21554 1/20 0.33
ACHE P22303 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
NTSR1 P30989 1/20 0.33
MC3R P41968 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL17035691 0.79 ERN1 (0.35) ERN1ALDH1A1KDM4ELMNATSHR
SCHEMBL16882893 0.74 HDAC3 (0.35) ERN1ALDH1A1LMNATSHRHTT
SCHEMBL566202 0.73 GAA (0.43) ALDH1A1KDM4ELMNATSHRHTT
SCHEMBL9602125 0.72 MAOB (0.49) ALDH1A1KDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL9602133 0.72 MAOB (0.49) ALDH1A1KDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL17254245 0.70 ERN1 (0.37) ERN1ALDH1A1KDM4ELMNATSHR
SCHEMBL3189250 0.68 TSHR (0.44) ALDH1A1KDM4ELMNATSHRHTT
SCHEMBL1527119 0.68 TSHR (0.39) ALDH1A1KDM4ELMNATSHRHTT
SCHEMBL480683 0.68 LMNA (0.39) ALDH1A1KDM4ELMNATSHRHTT
SCHEMBL3806350 0.68 ERN1 (0.42) ERN1ALDH1A1KDM4ELMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154314-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-07 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-10-27 US disclosed
US-10676484-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-09 US disclosed
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS DANA FARBER CANCER INST INC (US) 2020-05-14 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-09-10 US disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20090023709-A1 Inhibitors of 11B-Hyrdoxysteroid Dehydrogenase GILLESPIE PAUL 2009-01-22 US disclosed
US-20090023709-A1 Inhibitors of 11B-Hyrdoxysteroid Dehydrogenase GILLESPIE PAUL 2009-01-22 US disclosed
US-20090023709-A1 Inhibitors of 11B-Hyrdoxysteroid Dehydrogenase GILLESPIE PAUL 2009-01-22 US disclosed
WO-2007070393-A2 MGLUR1 ANATGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION (US) 2007-06-21 WO disclosed
EP-1758895-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-03-07 EP disclosed
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents SCHERING CORPORATION 2006-07-27 US disclosed
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents SCHERING CORPORATION 2006-07-27 US disclosed
US-20060019965-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-01-26 US disclosed
WO-2006009734-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-01-26 WO disclosed
WO-2006002051-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS MGLUR1 ANTAGONISTS SCHERING CORPORATION (US) 2006-01-05 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 (8 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-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy BRDT, BRD4, BRD1 ERN1 3348/4885ALDH1A1 2424/4885IMPDH2 2894/4885
US-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, APOB ERN1 1873/4885ALDH1A1 3889/4885IMPDH2 3871/4885
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders BRPF3, EP300, BRD3 ERN1 1853/4885ALDH1A1 3670/4885IMPDH2 4196/4885
US-20060019965-A1 Gonadotropin releasing hormone receptor antagonists GNRHR, GHRHR, LHCGR ERN1 3424/4885ALDH1A1 4733/4885IMPDH2 3983/4885
US-10676484-B2 Compositions and methods for treating leukemia MCL1, ABL1, FLT3 ERN1 3841/4885ALDH1A1 1723/4885IMPDH2 1468/4885
US-20090023709-A1 Inhibitors of 11B-Hyrdoxysteroid Dehydrogenase HSD17B1, HSD17B2, HSD11B1 ERN1 2332/4885ALDH1A1 64/4885IMPDH2 156/4885
US-20060167029-A1 mGluR1 Antagonists as therapeutic agents GRM1, GRM4, GRIA1 ERN1 3969/4885ALDH1A1 1026/4885IMPDH2 4140/4885
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS BRPF3, EP300, BRD3 ERN1 1853/4885ALDH1A1 3670/4885IMPDH2 4196/4885

“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.