SCHEMBL5110168

SCHEMBL5110168

CCCCN1CCC(NC(=O)c2c(O)c3ccsc3n(C(C)C)c2=O)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.67
KCNH2 Q12809 1/20 0.67
HTR3E A5X5Y0 2/20 0.45
HTR3B O95264 2/20 0.45
HTR3A P46098 2/20 0.45
HTR3D Q70Z44 2/20 0.45
HTR3C Q8WXA8 2/20 0.45
CNR1 P21554 4/20 0.44
CNR2 P34972 4/20 0.44
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL5096305 0.97 HTR4 (0.66) HTR4KCNH2HTR3EHTR3BHTR3A
SCHEMBL5110145 0.94 HTR4 (0.64) HTR4KCNH2HTR3EHTR3BHTR3A
SCHEMBL5099856 0.93 HTR4 (0.67) HTR4KCNH2HTR3EHTR3BHTR3A
SCHEMBL5103519 0.91 HTR4 (0.61) HTR4KCNH2HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL5096300 0.90 HTR4 (0.60) HTR4KCNH2HTR3EHTR3BHTR3A
SCHEMBL5103071 0.88 HTR4 (0.60) HTR4KCNH2HTR3EHTR3BHTR3A
SCHEMBL5099997 0.87 HTR4 (0.59) HTR4KCNH2HTR3EHTR3BHTR3A
SCHEMBL5099866 0.87 HTR4 (0.59) HTR4KCNH2NPC1RAB9AGAA
SCHEMBL2209069 0.84 HTR4 (0.81) HTR4KCNH2RAB9AGAA
SCHEMBL17781881 0.83 HTR3E (0.60) HTR4HTR3EHTR3BHTR3AHTR3D

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 7 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
WO-2006041985-A2 THIENOPYRIDINONE COMPOUNDS AND METHODS OF TREATMENT EPIX DELAWARE, INC. (US) 2006-04-20 WO 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 3236/4885HTR3E 52/4885

“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.