SCHEMBL5778815

SCHEMBL5778815

COc1ccccc1CCC1CCN(Cc2ccc[nH]c2=O)CC1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
GNAI3 P08754 1/20 0.50
CXCR4 P61073 1/20 0.48

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
SCHEMBL5784042 0.89 CXCR4 (0.45) KCNH2CXCR4
SCHEMBL5781323 0.87 CHRM4 (0.43) KCNH2
SCHEMBL5781590 0.85 KCNH2 (0.43) KCNH2
SCHEMBL5778729 0.85 ACHE (0.49) CXCR4
SCHEMBL5781093 0.84 CCR8 (0.48) KCNH2GNAI3CXCR4
Oxalic Acid SCHEMBL6896421 0.84 MEN1 (0.48) CXCR4
Oxalic Acid SCHEMBL6888474 0.84 KCNH2 (0.47) KCNH2
SCHEMBL5778147 0.84 KCNH2 (0.39) KCNH2GNAI3CXCR4
SCHEMBL5780290 0.84 KCNH2 (0.42) KCNH2CXCR4
Oxalic Acid SCHEMBL6893599 0.83 CHRM4 (0.45) KCNH2

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 KCNH2 6/4885GNAI3 2176/4885CXCR4 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.