SCHEMBL5777056

SCHEMBL5777056

COc1ncccc1CN1CCC(CC(=O)c2sccc2Br)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.40
CXCR4 P61073 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
CCR3 P51677 2/20 0.37
ACHE P22303 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
CHRM4 P08173 1/20 0.37
ATM Q13315 1/20 0.36
CACNA2D1 P54289 1/20 0.36

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
SCHEMBL5781308 0.86 FAAH (0.42) FAAHCXCR4MEN1POLBKMT2A
SCHEMBL5782393 0.86 FAAH (0.38) FAAHCXCR4MEN1POLBKMT2A
SCHEMBL5781505 0.85 FAAH (0.41) FAAHCXCR4ACHEDRD2DRD4
SCHEMBL5802576 0.84 ALDH1A1 (0.46) FAAHCXCR4ACHECACNA2D1
SCHEMBL5782392 0.81 CXCR4 (0.47) CXCR4ACHE
SCHEMBL5777399 0.81 FAAH (0.41) FAAHCXCR4
SCHEMBL5778196 0.79 CXCR4 (0.50) FAAHCXCR4MEN1POLBKMT2A
SCHEMBL5782554 0.79 ACHE (0.46) FAAHCXCR4MEN1KMT2AACHE
SCHEMBL5779354 0.78 LTA4H (0.43) FAAHCXCR4MEN1POLBKMT2A
SCHEMBL5778065 0.78 KDM4E (0.46) FAAHCXCR4ACHEDRD2DRD4

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 FAAH 646/4885CXCR4 972/4885MEN1 3216/4885

“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.