SCHEMBL5780975

SCHEMBL5780975

O=c1[nH]cccc1CN1CCC(CCc2ccccc2O)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 1/20 0.45
CHRM4 P08173 2/20 0.44
SLC2A1 P11166 1/20 0.43
ACHE P22303 2/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
BCHE P06276 1/20 0.39
BACE1 P56817 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL5778729 0.86 ACHE (0.49) ALDH1A1CHRM4ACHEDRD2DRD4
SCHEMBL5781460 0.85 DRD2 (0.55) ALDH1A1ACHEDRD2DRD4DRD3
Oxalic Acid SCHEMBL5782385 0.84 KDM4E (0.44) KDM4EALDH1A1ACHEDRD2DRD4
SCHEMBL5781924 0.84 ACHE (0.43) ACHEDRD2DRD4DRD3HRH3
SCHEMBL5800737 0.84 KMT2A (0.46) KDM4EALDH1A1ACHEDRD2SIGMAR1
Oxalic Acid SCHEMBL5782852 0.83 DRD2 (0.46) KDM4EALDH1A1ACHEDRD2DRD4
SCHEMBL5778815 0.83 KCNH2 (0.53)
SCHEMBL5779401 0.83 CHRM1 (0.45) CHRM4DRD2DRD4DRD3MAOA
SCHEMBL5781366 0.82 HTR2A (0.40) ACHEDRD2DRD4DRD3HRH3
SCHEMBL5781625 0.81 DRD2 (0.48) 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 MPO 1876/4885KDM4E 2057/4885ALDH1A1 408/4885

“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.