SCHEMBL5777906

SCHEMBL5777906

COc1ncccc1CN1CCC(CC(=O)c2ccccc2NC(=O)C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.42
GPR6 P46095 5/20 0.42
CXCR4 P61073 1/20 0.41
DRD4 P21917 1/20 0.41
FAAH O00519 1/20 0.41
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.40
EPHX2 P34913 1/20 0.40
ACKR3 P25106 1/20 0.40
P2RY1 P47900 2/20 0.40
CHRM4 P08173 2/20 0.40

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
SCHEMBL6896331 0.85 EPHX2 (0.48) FAAHKMT2AACHEEPHX2
SCHEMBL5779957 0.84 CCR3 (0.41) CCR3GPR6CXCR4FAAHACHE
SCHEMBL5778196 0.82 CXCR4 (0.50) GPR6CXCR4DRD4FAAHKMT2A
SCHEMBL5780999 0.82 MEN1 (0.48) CXCR4DRD4FAAHKMT2AACHE
SCHEMBL5778065 0.82 KDM4E (0.46) CXCR4DRD4FAAHACHEACKR3
SCHEMBL5782554 0.81 ACHE (0.46) CXCR4DRD4FAAHKMT2AACHE
SCHEMBL5782392 0.79 CXCR4 (0.47) CXCR4ACHE
SCHEMBL6887761 0.79 ACHE (0.43) GPR6CXCR4DRD4FAAHACHE
SCHEMBL5781408 0.79 ACHE (0.49) GPR6CXCR4DRD4FAAHKMT2A
SCHEMBL5802576 0.75 ALDH1A1 (0.46) CXCR4FAAHACHE

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 CCR3 1473/4885GPR6 709/4885CXCR4 972/4885

“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.