SCHEMBL5778317

SCHEMBL5778317

COc1ncccc1CN1CCC(C=Cc2ccc(-c3cccc(OC4CCCC4)c3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACKR3 P25106 1/20 0.34
ROCK1 Q13464 1/20 0.34
PDE4D Q08499 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
SLC16A3 O15427 4/20 0.33
SLC16A1 P53985 4/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE10A Q9Y233 1/20 0.33
DHODH Q02127 1/20 0.33
MCTS1 Q9ULC4 1/20 0.33

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
SCHEMBL5778318 0.87 HTR7 (0.38) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL5778945 0.80 PDE4B (0.38) MEN1KMT2A
SCHEMBL5780578 0.79 MAOB (0.44) MAOB
SCHEMBL5781506 0.79 TLR4 (0.45) MAOBACKR3
SCHEMBL5783876 0.77 MAOB (0.39) MAOBMEN1KMT2AACKR3
SCHEMBL5783845 0.77 KDM4E (0.43) MAOBMEN1KMT2A
SCHEMBL5781718 0.76 KCNH2 (0.47) DRD2DRD4DRD3
Oxalic Acid SCHEMBL5780417 0.74 MEN1 (0.41) MEN1KMT2AACKR3
SCHEMBL5782945 0.74 PDCD1LG2 (0.41) MAOB
SCHEMBL5780436 0.73 ALDH1A1 (0.39) MAOBMEN1KMT2A

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 DRD2 53/4885DRD4 117/4885DRD3 89/4885

“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.