SCHEMBL6891164

SCHEMBL6891164

N#Cc1ccsc1CCC1CCN(Cc2ccc[nH]c2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.36
CHRM1 P11229 2/20 0.36
DPP4 P27487 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
CHRM4 P08173 3/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
ACHE P22303 3/20 0.33
KMT2A Q03164 1/20 0.33
BCHE P06276 2/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32

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
SCHEMBL5779401 0.84 CHRM1 (0.45) MCL1CHRM1HTR2AHTR2CCHRM4
SCHEMBL5782015 0.82 DRD2 (0.38) HRH3DRD2DRD4DRD3ACHE
SCHEMBL5778147 0.82 KCNH2 (0.39) ACHE
SCHEMBL5778219 0.81 ACHE (0.34) HRH3DRD2DRD4DRD3ACHE
SCHEMBL5781204 0.80 DRD2 (0.38) HRH3DRD2DRD4DRD3ACHE
SCHEMBL5780374 0.79 DRD2 (0.42) HRH3DRD2DRD4DRD3ACHE
SCHEMBL5781757 0.79 CHRM2 (0.39) CHRM1HRH3DRD2DRD4DRD3
SCHEMBL5814856 0.77 CCR3 (0.46) CHRM1CHRM4DRD4ACHEMAOA
SCHEMBL5782429 0.77 ACHE (0.37) HRH3DRD2DRD4DRD3ACHE
SCHEMBL5781460 0.76 DRD2 (0.55) HRH3DRD2DRD4DRD3ACHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MCL1 1051/4885CHRM1 663/4885DPP4 1959/4885

“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.