SCHEMBL5778147

SCHEMBL5778147

COc1ccsc1CCC1CCN(Cc2ccc[nH]c2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
GNAI3 P08754 1/20 0.39
CCR8 P51685 1/20 0.39
ACHE P22303 2/20 0.38
CXCR4 P61073 1/20 0.38

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
SCHEMBL5778815 0.84 KCNH2 (0.53) KCNH2GNAI3CXCR4
SCHEMBL5778219 0.83 ACHE (0.34) ACHE
SCHEMBL6891164 0.82 MCL1 (0.36) ACHE
SCHEMBL5782015 0.82 DRD2 (0.38) ACHE
SCHEMBL5784042 0.80 CXCR4 (0.45) KCNH2ACHECXCR4
SCHEMBL5781204 0.80 DRD2 (0.38) ACHE
SCHEMBL5780374 0.79 DRD2 (0.42) ACHE
SCHEMBL5781757 0.79 CHRM2 (0.39) ACHE
SCHEMBL5781449 0.79 DRD2 (0.42) KCNH2ACHECXCR4
SCHEMBL5782429 0.79 ACHE (0.37) ACHE

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 2176/4885CCR8 1733/4885

“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.