SCHEMBL104617

SCHEMBL104617

CC(C)CCCCN1CC(C)OC(C)C1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.63
EBP Q15125 1/20 0.63
KDM4E B2RXH2 8/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 7/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.43
GBA1 P04062 1/20 0.41
HTT P42858 2/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL13223790 1.00 SIGMAR1 (0.63) SIGMAR1EBPKDM4ETDP1ALDH1A1
SCHEMBL11122622 0.98 SIGMAR1 (0.67) SIGMAR1EBPKDM4ETDP1ALDH1A1
SCHEMBL9361316 0.98 SIGMAR1 (0.67) SIGMAR1EBPKDM4ETDP1ALDH1A1
SCHEMBL10812144 0.98 SIGMAR1 (0.67) SIGMAR1EBPKDM4ETDP1ALDH1A1
SCHEMBL16943589 0.94 SIGMAR1 (0.60) SIGMAR1EBPKDM4ETDP1ALDH1A1
SCHEMBL21566192 0.94 SIGMAR1 (0.60) SIGMAR1EBPKDM4ETDP1ALDH1A1
SCHEMBL24936742 0.85 SIGMAR1 (0.53) SIGMAR1EBPKDM4ETDP1ALDH1A1
SCHEMBL13519646 0.85 SIGMAR1 (0.53) SIGMAR1EBPKDM4ETDP1ALDH1A1
SCHEMBL13995262 0.85 SIGMAR1 (0.53) SIGMAR1EBPKDM4ETDP1ALDH1A1
SCHEMBL25446590 0.85 SIGMAR1 (0.53) SIGMAR1EBPKDM4ETDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 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 (3 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 SIGMAR1 1063/4885EBP 3909/4885KDM4E 1708/4885
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 SIGMAR1 690/4885EBP 504/4885KDM4E 2800/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 SIGMAR1 1063/4885EBP 3909/4885KDM4E 1708/4885

“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.