SCHEMBL5099997

SCHEMBL5099997

CC(C)n1c(=O)c(C(=O)NC2CCN(CC3CC3)CC2)c(O)c2ccsc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 6/20 0.59
KCNH2 Q12809 1/20 0.59
CYP3A4 P08684 1/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
CCR1 P32246 1/20 0.37
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
HTR3E A5X5Y0 2/20 0.35
HTR3B O95264 2/20 0.35
HTR3A P46098 2/20 0.35
HTR3D Q70Z44 2/20 0.35
HTR3C Q8WXA8 2/20 0.35
GSK3B P49841 1/20 0.35
PDE7A Q13946 1/20 0.35

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
SCHEMBL5103519 0.90 HTR4 (0.61) HTR4KCNH2NPC1RAB9AGAA
SCHEMBL5103071 0.90 HTR4 (0.60) HTR4KCNH2NPC1RAB9AGAA
Hydrochloric Acid SCHEMBL5096300 0.90 HTR4 (0.60) HTR4KCNH2NPC1RAB9AGAA
SCHEMBL5110145 0.89 HTR4 (0.64) HTR4KCNH2NPC1RAB9AGAA
SCHEMBL5110168 0.87 HTR4 (0.67) HTR4KCNH2NPC1RAB9AGAA
SCHEMBL5099856 0.87 HTR4 (0.67) HTR4KCNH2NPC1RAB9AGAA
SCHEMBL5096305 0.86 HTR4 (0.66) HTR4KCNH2NPC1RAB9AGAA
SCHEMBL5099866 0.85 HTR4 (0.59) HTR4KCNH2NPC1RAB9AGAA
SCHEMBL8268953 0.79 HTR4 (0.38) HTR4KCNH2CYP3A4CCR1PARP1
SCHEMBL2209069 0.78 HTR4 (0.81) HTR4KCNH2RAB9AGAA

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-7407966-B2 Thienopyridinone compounds and methods of treatment EPIX DELAWARE, INC. (US) 2008-08-05 US claimed
US-20060079547-A1 Thienopyridinone compounds and methods of treatment NANOSHIFT, LLC 2006-04-13 US claimed
US-7407966-B2 Thienopyridinone compounds and methods of treatment EPIX DELAWARE, INC. (US) 2008-08-05 US disclosed
US-7407966-B2 Thienopyridinone compounds and methods of treatment EPIX DELAWARE, INC. (US) 2008-08-05 US disclosed
US-7407966-B2 Thienopyridinone compounds and methods of treatment EPIX DELAWARE, INC. (US) 2008-08-05 US disclosed
US-20060079547-A1 Thienopyridinone compounds and methods of treatment NANOSHIFT, LLC 2006-04-13 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-20060079547-A1 Thienopyridinone compounds and methods of treatment HRH4, HRH2, HTR4 HTR4 3/4885KCNH2 3236/4885CYP3A4 197/4885

“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.