SCHEMBL5780797

SCHEMBL5780797

COc1ncccc1CN1CCC(CCCCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.53
DRD4 P21917 3/20 0.53
DRD3 P35462 2/20 0.53
HRH3 Q9Y5N1 2/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
FAAH O00519 1/20 0.46
ACHE P22303 1/20 0.46
CXCR4 P61073 1/20 0.46
NMT1 P30419 1/20 0.46
GRIN2B Q13224 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5778785 0.97 DRD2 (0.53) DRD2DRD4DRD3HRH3HTR2A
SCHEMBL5780194 0.92 DRD2 (0.61) DRD2DRD4DRD3ACHECXCR4
SCHEMBL5779581 0.89 DRD2 (0.55) DRD2DRD4DRD3ACHECXCR4
SCHEMBL5781487 0.87 DRD2 (0.56) DRD2DRD4DRD3
SCHEMBL5781232 0.85 MEN1 (0.60) KDM4EMEN1NPC1MAPTBLM
SCHEMBL5782716 0.84 DRD2 (0.53) DRD2DRD4DRD3
SCHEMBL5778736 0.84 KCNH2 (0.57) DRD2DRD4DRD3CXCR4
SCHEMBL5779336 0.83 KCNH2 (0.56) FAAHCXCR4
SCHEMBL5781911 0.83 DRD2 (0.48) DRD2DRD4DRD3FAAHACHE
SCHEMBL5782711 0.83 DRD2 (0.48) DRD2DRD4DRD3FAAHACHE

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 DRD2 53/4885DRD4 117/4885DRD3 89/4885

“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.