SCHEMBL5778746

SCHEMBL5778746

COc1ncccc1CN1CCC(CO)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CD274 Q9NZQ7 4/20 0.43
PDCD1 Q15116 3/20 0.43
LTA4H P09960 1/20 0.43
KDM1A O60341 3/20 0.43
MAOB P27338 1/20 0.43
GNAI3 P08754 1/20 0.42
FAAH O00519 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
PDCD1LG2 Q9BQ51 1/20 0.42

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
SCHEMBL5780521 0.90 FAAH (0.45) CXCR4MEN1KMT2AMAPTKDM4E
SCHEMBL12767598 0.88 CXCR4 (0.44) CXCR4MEN1KMT2AMAPTKDM4E
SCHEMBL15214327 0.85 ACHE (0.54) CD274LTA4HKDM1AMAOBGNAI3
SCHEMBL5781232 0.85 MEN1 (0.60) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL5779489 0.84 CXCR4 (0.44) CXCR4MEN1KMT2AMAPTKDM4E
SCHEMBL5780194 0.83 DRD2 (0.61) CXCR4MAOBACHE
SCHEMBL5784026 0.83 FAAH (0.44) CXCR4MEN1KMT2AMAPTKDM4E
SCHEMBL5783240 0.82 DRD2 (0.47) CXCR4MEN1KMT2AMAPTKDM4E
SCHEMBL5783686 0.82 FAAH (0.48) CXCR4FAAHBCHEACHE
SCHEMBL5782428 0.82 MEN1 (0.46) CXCR4MEN1KMT2AMAPTKDM4E

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 CXCR4 972/4885MEN1 3216/4885KMT2A 1308/4885

“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.