SCHEMBL5778318

SCHEMBL5778318

COc1ncccc1CN1CCC(C=Cc2ccccc2-c2cccc(OC3CCCC3)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
CD274 Q9NZQ7 5/20 0.36
FFAR4 Q5NUL3 1/20 0.36
OXTR P30559 1/20 0.36
PDCD1LG2 Q9BQ51 3/20 0.36
SLC16A3 O15427 2/20 0.35
SLC16A1 P53985 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ROCK1 Q13464 1/20 0.35
PTGER2 P43116 1/20 0.35
PDCD1 Q15116 1/20 0.34

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
SCHEMBL5778317 0.87 DRD2 (0.38) DRD2DRD4DRD3FFAR4SLC16A3
SCHEMBL5778945 0.84 PDE4B (0.38) MEN1KMT2A
SCHEMBL6887742 0.78 KDM1A (0.39) DRD2DRD4DRD3CD274PDCD1LG2
SCHEMBL5781196 0.78 ACHE (0.44) CD274PDCD1LG2PTGER2
SCHEMBL5780436 0.78 ALDH1A1 (0.39) MEN1KMT2A
SCHEMBL5780296 0.76 CHRNB4 (0.41) MEN1KMT2A
SCHEMBL6893997 0.76 DRD2 (0.39) DRD2DRD4DRD3
SCHEMBL5779504 0.75 CHRNB4 (0.41)
SCHEMBL5781718 0.75 KCNH2 (0.47) DRD2DRD4DRD3
SCHEMBL5782945 0.75 PDCD1LG2 (0.41) CD274PDCD1LG2

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 HTR7 425/4885DRD2 53/4885DRD4 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.