SCHEMBL13995262

SCHEMBL13995262

CC(C)CCN1CC(C)OC(C)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.53
EBP Q15125 2/20 0.53
KDM4E B2RXH2 4/20 0.40
ATM Q13315 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
PDK1 Q15118 1/20 0.38
PIK3CD O00329 1/20 0.38
HTT P42858 1/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
SORT1 Q99523 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
SCHEMBL25446590 1.00 SIGMAR1 (0.53) SIGMAR1EBPKDM4EATMALDH1A1
SCHEMBL24936742 1.00 SIGMAR1 (0.53) SIGMAR1EBPKDM4EATMALDH1A1
SCHEMBL13519646 1.00 SIGMAR1 (0.53) SIGMAR1EBPKDM4EATMALDH1A1
SCHEMBL16943589 0.87 SIGMAR1 (0.60) SIGMAR1EBPKDM4EATMALDH1A1
SCHEMBL21566192 0.87 SIGMAR1 (0.60) SIGMAR1EBPKDM4EATMALDH1A1
SCHEMBL13223790 0.85 SIGMAR1 (0.63) SIGMAR1EBPKDM4EATMALDH1A1
SCHEMBL104617 0.85 SIGMAR1 (0.63) SIGMAR1EBPKDM4EATMALDH1A1
SCHEMBL11122622 0.84 SIGMAR1 (0.67) SIGMAR1EBPKDM4EATMALDH1A1
SCHEMBL9361316 0.84 SIGMAR1 (0.67) SIGMAR1EBPKDM4EATMALDH1A1
SCHEMBL10812144 0.84 SIGMAR1 (0.67) SIGMAR1EBPKDM4EATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3781574-B1 MACROCYCLIC SPIROETHERS AS MCL-1 INHIBITORS ASCENTAGE PHARMA SUZHOU CO LTD (CN) 2023-05-10 EP disclosed
US-20180155340-A1 QUINOLONE DERIVATIVES AS FGFR INHIBITORS PRINCIPIA BIOPHARMA INC. 2018-06-07 US disclosed
US-20180155340-A1 QUINOLONE DERIVATIVES AS FGFR INHIBITORS PRINCIPIA BIOPHARMA INC. 2018-06-07 US disclosed
WO-2016191172-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2016-12-01 WO disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 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 (2 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 SIGMAR1 4745/4885EBP 3083/4885KDM4E 1583/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR SIGMAR1 392/4885EBP 3703/4885KDM4E 1846/4885

“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.