SCHEMBL6895342

SCHEMBL6895342

O=C(CC1CCN(Cc2ccc[nH]c2=O)CC1)c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 9/20 0.48
ALDH1A1 P00352 2/20 0.45
DRD4 P21917 2/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DRD2 P14416 1/20 0.45
ATM Q13315 1/20 0.44

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
SCHEMBL5801607 0.85 FAAH (0.39) CXCR4DRD4DRD2
SCHEMBL5783305 0.84 KDM4E (0.44) ALDH1A1ATM
SCHEMBL5779726 0.84 CCR8 (0.52) CXCR4ALDH1A1DRD4DRD2
SCHEMBL5777415 0.84 BCHE (0.48)
SCHEMBL5781722 0.83 LMNA (0.42) DRD4DRD2
SCHEMBL5781048 0.83 CCR8 (0.42) CXCR4MAPT
SCHEMBL1475745 0.82 ALDH1A1 (0.42) CXCR4ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL5783004 0.81 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL1475067 0.80 BCHE (0.56) CXCR4
SCHEMBL5778293 0.78 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CXCR4 972/4885ALDH1A1 408/4885DRD4 117/4885

“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.