SCHEMBL5778219

SCHEMBL5778219

CS(=O)(=O)c1ccsc1CCC1CCN(Cc2ccc[nH]c2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.34
OPRM1 P35372 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
OPRK1 P41145 1/20 0.33
BCHE P06276 2/20 0.33
HRH3 Q9Y5N1 1/20 0.32
RAB9A P51151 1/20 0.32
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
CCR9 P51686 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL5782429 0.86 ACHE (0.37) ACHEOPRM1DRD2DRD4DRD3
SCHEMBL5781366 0.85 HTR2A (0.40) ACHEOPRM1DRD2DRD4DRD3
SCHEMBL5782775 0.84 DRD2 (0.34) ACHEDRD2DRD4DRD3BCHE
SCHEMBL5778147 0.83 KCNH2 (0.39) ACHE
SCHEMBL6891164 0.81 MCL1 (0.36) ACHEDRD2DRD4DRD3BCHE
SCHEMBL5782015 0.81 DRD2 (0.38) ACHEOPRM1DRD2DRD4DRD3
SCHEMBL5781204 0.81 DRD2 (0.38) ACHEDRD2DRD4DRD3HRH3
SCHEMBL5780374 0.79 DRD2 (0.42) ACHEDRD2DRD4DRD3HRH3
SCHEMBL5781009 0.78 DRD2 (0.39) ACHEDRD2DRD4DRD3
SCHEMBL5781757 0.78 CHRM2 (0.39) ACHEDRD2DRD4DRD3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254904-B1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2006-05-24 EP disclosed
US-6784192-B2 NA+ CHANNEL INHIBITORY ACTION IS USEFUL FOR THERAPY AND PREVENTION FOR EXAMPLE, ARRHYTHMIA, VARIOUS NEURALGIAS AND ANALGESIC EISAI CO., LTD. (JP) 2004-08-31 US disclosed
US-20030220368-A1 Novel piperidine compouds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-11-27 US disclosed
EP-1254904-A1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 EP 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-20030220368-A1 Novel piperidine compouds and drugs containing the same TRPV1, CACNA1D, KCND2 ACHE 1318/4885OPRM1 266/4885DRD2 53/4885

“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.