SCHEMBL5801607

SCHEMBL5801607

O=C(CC1CCN(Cc2ccc[nH]c2=O)CC1)c1cccnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
ACKR3 P25106 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CXCR4 P61073 4/20 0.38
ACHE P22303 1/20 0.37
CYP2C19 P33261 1/20 0.37
CHRM4 P08173 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 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
SCHEMBL6895342 0.85 CXCR4 (0.48) CXCR4DRD2DRD4
SCHEMBL5780772 0.81 DRD2 (0.47) FAAHLMNATP53CXCR4ACHE
SCHEMBL5782554 0.81 ACHE (0.46) FAAHACKR3CXCR4ACHECYP2C19
SCHEMBL5781048 0.79 CCR8 (0.42) FAAHCXCR4
SCHEMBL5779726 0.79 CCR8 (0.52) FAAHCXCR4ACHECHRM4DRD2
SCHEMBL5778158 0.79 CACNA2D1 (0.39) FAAHACHE
SCHEMBL5783305 0.79 KDM4E (0.44) LMNAACHECYP2C19
SCHEMBL5777415 0.79 BCHE (0.48) ACHE
SCHEMBL5781722 0.78 LMNA (0.42) LMNAACHEDRD2DRD4
SCHEMBL5783004 0.76 ALDH1A1 (0.41) ACHE

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 646/4885ACKR3 1989/4885LMNA 2085/4885

“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.