SCHEMBL5782242

SCHEMBL5782242

COc1ncccc1CN1CCC(CCc2cccc3c2OCO3)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ CHRM4 P08173 2/20 0.41
▸ RECQL P46063 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5781276 0.94 FAAH (0.42) NPC1RAB9ADRD2DRD3DRD4
SCHEMBL5779871 0.93 FAAH (0.41) NPC1RAB9ADRD2DRD3DRD4
SCHEMBL5782049 0.92 FAAH (0.41) NPC1RAB9ADRD2DRD3DRD4
SCHEMBL5778840 0.89 CHRM4 (0.49) NPC1DRD2DRD3DRD4CHRM4
SCHEMBL6892286 0.87 NPC1 (0.42) NPC1RAB9ADRD2DRD3LMNA
SCHEMBL5778228 0.86 NPC1 (0.39) NPC1RAB9ADRD2DRD3DRD4
SCHEMBL5783143 0.86 PDE2A (0.41) NPC1RAB9ADRD2DRD3LMNA
SCHEMBL5782367 0.86 HTR1A (0.44) NPC1RAB9ALMNAPOLBHTR1A
SCHEMBL6894471 0.86 NPC1 (0.39) NPC1RAB9ADRD2DRD3DRD4
SCHEMBL5780929 0.85 L3MBTL1 (0.43) DRD2DRD3DRD4LMNACHRM4

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 NPC1 309/4885RAB9A 1912/4885DRD2 53/4885

“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.

Send feedback