SCHEMBL5780290

SCHEMBL5780290

O=c1[nH]cccc1CN1CCC(CCc2ccccc2OCC2CCCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.42
MAPT P10636 1/20 0.40
DCPS Q96C86 2/20 0.39
CXCR4 P61073 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
SCHEMBL5781590 0.99 KCNH2 (0.43) KCNH2MAPTDCPS
Oxalic Acid SCHEMBL5777380 0.95 KCNH2 (0.41) KCNH2MAPTCXCR4
Oxalic Acid SCHEMBL6896125 0.95 KCNH2 (0.41) KCNH2MAPTCXCR4
Oxalic Acid SCHEMBL5780721 0.94 KCNH2 (0.42) KCNH2MAPT
SCHEMBL5777663 0.92 CXCR4 (0.43) KCNH2MAPTDCPSCXCR4
SCHEMBL5782095 0.87 KCNH2 (0.39) KCNH2MAPT
Oxalic Acid SCHEMBL5778829 0.87 MEN1 (0.46) KCNH2MAPTDCPSCXCR4
SCHEMBL5784012 0.86 MAPT (0.40) KCNH2MAPTDCPSCXCR4
SCHEMBL5780329 0.86 KCNH2 (0.42) KCNH2MAPTDCPSCXCR4
SCHEMBL5779854 0.85 MEN1 (0.45) KCNH2MAPTDCPSCXCR4

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 7 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 claimed
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 claimed
US-20030220368-A1 Novel piperidine compouds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-11-27 US claimed
EP-1254904-A1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 EP claimed
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
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 KCNH2 6/4885MAPT 3180/4885DCPS 3564/4885

“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.