SCHEMBL4424944

SCHEMBL4424944

COc1ccccc1-c1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 18/20 0.75
KCNH2 Q12809 4/20 0.64
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
SLC6A5 Q9Y345 1/20 0.49

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
SCHEMBL4422115 0.88 SLC6A9 (0.79) SLC6A9KCNH2SLC6A5
SCHEMBL4432880 0.88 SLC6A9 (0.79) SLC6A9KCNH2
SCHEMBL4422970 0.87 SLC6A9 (0.78) SLC6A9KCNH2
SCHEMBL4422319 0.86 SLC6A9 (1.00) SLC6A9KCNH2
SCHEMBL4435392 0.85 SLC6A9 (0.92) SLC6A9KCNH2
SCHEMBL4941025 0.84 SLC6A9 (0.53) SLC6A9LMNATSHR
SCHEMBL4426305 0.84 SLC6A9 (0.81) SLC6A9KCNH2
SCHEMBL4426294 0.83 SLC6A9 (0.79) SLC6A9KCNH2SLC6A5
SCHEMBL4423034 0.83 SLC6A9 (0.68) SLC6A9KCNH2SLC6A5
SCHEMBL4435049 0.83 SLC6A9 (0.66) SLC6A9KCNH2SLC6A5

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-20090156483-A1 Analogs of Ghrelin BIOMEASURE, INCORPORATED 2009-06-18 US disclosed
EP-1703909-B1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2009-04-15 EP disclosed
US-7462617-B2 Substituted acylpiperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-09 US disclosed
US-7462617-B2 Substituted acylpiperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-09 US disclosed
US-7462617-B2 Substituted acylpiperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-09 US disclosed
US-20050059668-A1 Substituted acylpiperazine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 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-20050059668-A1 Substituted acylpiperazine derivatives AGPAT5, ACHE, GRIK5 SLC6A9 2325/4885KCNH2 628/4885LMNA 4830/4885
US-20090156483-A1 Analogs of Ghrelin GIPR, GLP1R, GHSR SLC6A9 2621/4885KCNH2 3888/4885LMNA 3790/4885

“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.