SCHEMBL5779367

SCHEMBL5779367

CS(=O)(=O)c1c(CCC2CCN(Cc3ccc[nH]c3=O)CC2)ccc2c1OCO2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.38
▸ HTR2A P28223 5/20 0.38
▸ DRD3 P35462 5/20 0.38
▸ ACHE P22303 2/20 0.35
▸ SLC6A4 P31645 1/20 0.34
▸ MCHR1 Q99705 1/20 0.33

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
SCHEMBL5778060 0.86 DRD2 (0.37) DRD2HTR2ADRD3ACHESLC6A4
SCHEMBL5780249 0.85 FAAH (0.41) DRD2HTR2ADRD3MCHR1
SCHEMBL5781356 0.80 DRD2 (0.37) DRD2HTR2ADRD3ACHEMCHR1
SCHEMBL5781366 0.80 HTR2A (0.40) DRD2HTR2ADRD3ACHE
SCHEMBL5781500 0.79 CHRM4 (0.40) DRD2HTR2ADRD3MCHR1
SCHEMBL5781595 0.78 NMT1 (0.41) DRD2HTR2ADRD3MCHR1
SCHEMBL5783824 0.78 CXCR4 (0.48) ACHEMCHR1
SCHEMBL5778143 0.77 NMT1 (0.40) DRD2HTR2ADRD3MCHR1
SCHEMBL5782429 0.77 ACHE (0.37) DRD2DRD3ACHE
SCHEMBL5781846 0.76 DRD2 (0.44) DRD2HTR2ADRD3ACHE

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 DRD2 53/4885HTR2A 439/4885DRD3 89/4885

“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.

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