SCHEMBL5779409

SCHEMBL5779409

O=c1[nH]cc(Cl)cc1CN1CCC(COc2ccccc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 4/20 0.45
CYP2D6 P10635 1/20 0.45
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
SCN7A Q01118 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL5781098 0.93 MGLL (0.40) DCPSCYP2D6
SCHEMBL5800937 0.92 DCPS (0.44) DCPSCYP2D6SCN7A
SCHEMBL5781157 0.91 MGLL (0.41)
SCHEMBL5782446 0.89 DCPS (0.39) DCPSCYP2D6POLBATM
SCHEMBL5781209 0.89 CXCR4 (0.42) DCPS
SCHEMBL5781470 0.88 MEN1 (0.44) DCPSBCHEACHE
SCHEMBL6888336 0.87 TP53 (0.42) DCPSCYP2D6TP53SMN1; SMN2BCHE
SCHEMBL7249480 0.86 DCPS (0.40) DCPSCYP2D6SMN1; SMN2POLB
SCHEMBL5779389 0.83 DCPS (0.50) DCPSCYP2D6ATMBCHEACHE
SCHEMBL5780329 0.83 KCNH2 (0.42) DCPS

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 DCPS 3564/4885CYP2D6 442/4885TP53 4544/4885

“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.