SCHEMBL5784178

SCHEMBL5784178

O=c1[nH]cccc1CN1CCC(C=Cc2ccc(F)cc2OCC2CCCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
DCPS Q96C86 4/20 0.36
CYP2D6 P10635 1/20 0.36
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
BRD4 O60885 1/20 0.34
HPGD P15428 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL5803450 0.94 MAOA (0.35) MAOAMAOBDCPSCYP2D6BRD4
SCHEMBL5779805 0.91 HPGD (0.37) MAOAMAOBDCPSCYP2D6HPGD
Oxalic Acid SCHEMBL5783034 0.87 MEN1 (0.39) ACHEHPGD
SCHEMBL5780279 0.86 DCPS (0.40) DCPSCYP2D6HPGDJAK2JAK1
Oxalic Acid SCHEMBL5778384 0.86 MEN1 (0.37) ACHE
SCHEMBL5778765 0.84 MAOA (0.36) MAOAMAOBDCPSCYP2D6HPGD
SCHEMBL5779801 0.81 HPGD (0.42) MAOBHPGD
SCHEMBL5777663 0.81 CXCR4 (0.43) DCPSCYP2D6
Oxalic Acid SCHEMBL5781698 0.81 MEN1 (0.37) MAOAMAOB
SCHEMBL5783892 0.80 DCPS (0.44) DCPSCYP2D6BRD4

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 MAOA 2275/4885MAOB 2159/4885DCPS 3564/4885

“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.