SCHEMBL5778729

SCHEMBL5778729

Cc1ccccc1CCC1CCN(Cc2ccc[nH]c2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.49
BCHE P06276 2/20 0.44
CXCR4 P61073 1/20 0.44
FAAH O00519 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.43
DRD2 P14416 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2A13 Q16696 1/20 0.41
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL5780317 0.89 MEN1 (0.44) ACHEBCHEALDH1A1DRD2CHRM2
SCHEMBL5780975 0.86 MPO (0.46) ACHEBCHEALDH1A1DRD2CHRM4
SCHEMBL5781460 0.85 DRD2 (0.55) ACHEALDH1A1DRD2DRD4DRD3
SCHEMBL5778815 0.85 KCNH2 (0.53) CXCR4
SCHEMBL5781366 0.84 HTR2A (0.40) ACHEBCHEDRD2HTR2CDRD4
SCHEMBL5800737 0.84 KMT2A (0.46) ACHEBCHEALDH1A1DRD2CHRM1
SCHEMBL5781924 0.84 ACHE (0.43) ACHEDRD2DRD4DRD3
SCHEMBL5779401 0.83 CHRM1 (0.45) DRD2CHRM4CHRM1HTR2CDRD4
Oxalic Acid SCHEMBL5782385 0.82 KDM4E (0.44) ACHEBCHECXCR4ALDH1A1DRD2
SCHEMBL6888188 0.82 ACHE (0.42) ACHEBCHEDRD2KMT2ADRD4

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 5 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
CN-1395575-A Novel piperidine compounds and drugs containing the same EISAI CO LTD (JP) 2003-02-05 CN 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 1318/4885BCHE 3781/4885CXCR4 972/4885

“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.