SCHEMBL5779401

SCHEMBL5779401

N#Cc1ccccc1CCC1CCN(Cc2ccc[nH]c2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.45
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
MCL1 Q07820 1/20 0.43
CHRM4 P08173 3/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
COMT P21964 1/20 0.39
JAK1 P23458 3/20 0.39
TYK2 P29597 3/20 0.39
JAK2 O60674 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
JAK3 P52333 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
SCHEMBL6891164 0.84 MCL1 (0.36) CHRM1HTR2AHTR2CMCL1CHRM4
SCHEMBL5781924 0.83 ACHE (0.43) DRD2DRD4DRD3
SCHEMBL5778729 0.83 ACHE (0.49) CHRM1HTR2CCHRM4DRD2DRD4
SCHEMBL5780975 0.83 MPO (0.46) CHRM4MAOAMAOBDRD2DRD4
SCHEMBL5781460 0.82 DRD2 (0.55) MAOAMAOBDRD2DRD4DRD3
SCHEMBL5814856 0.81 CCR3 (0.46) CHRM1CHRM4MAOAMAOBJAK1
SCHEMBL5800737 0.81 KMT2A (0.46) CHRM1MAOAMAOBDRD2
SCHEMBL5781625 0.81 DRD2 (0.48) MAOAMAOBDRD2DRD4DRD3
SCHEMBL5778815 0.80 KCNH2 (0.53)
Oxalic Acid SCHEMBL5782385 0.79 KDM4E (0.44) DRD2DRD4DRD3

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 CHRM1 663/4885HTR2A 439/4885HTR2C 353/4885

“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.