SCHEMBL3776594

SCHEMBL3776594

CC[C@H](CCN1CCOCC1)n1c(O)nc2ncc(Cl)cc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
HRH4 Q9H3N8 4/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
HTR3A P46098 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TSHR P16473 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
SCHEMBL3670815 0.89 TP53 (0.36) IRAK4HRH4SMN1; SMN2TSHR
SCHEMBL3673491 0.89 TP53 (0.36) IRAK4HRH4SMN1; SMN2TSHR
SCHEMBL3670834 0.85 PSEN1 (0.34) IRAK4HRH4SMN1; SMN2TSHR
SCHEMBL13007659 0.82 HRH4 (0.32) HRH4HRH3HTR3A
SCHEMBL13007647 0.82 MAPK1 (0.33) HRH4HRH3HTR3ATSHR
SCHEMBL3676314 0.82 HRH4 (0.32) HRH4HRH3HTR3A
SCHEMBL3666328 0.82 BACE1 (0.36) HRH4HRH3HTR3ATSHR
SCHEMBL3674193 0.81 TSHR (0.33) IRAK4HRH4LMNASMN1; SMN2HRH3
SCHEMBL3673658 0.81 TSHR (0.33) IRAK4HRH4LMNASMN1; SMN2HRH3
SCHEMBL14031210 0.81 MAPT (0.36) IRAK4SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US claimed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US claimed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 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 (1 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-20080242695-A1 Certain Chemical Entities, Compositions, and Methods TNNC1, TNNI3, TNNT2 IRAK4 4023/4885SIGMAR1 3595/4885HRH4 4875/4885

“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.