SCHEMBL5782253

SCHEMBL5782253

O=c1[nH]cccc1CN1CCC(CCc2ccsc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
SLC6A4 P31645 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
KIT P10721 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
ACHE P22303 2/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL5781460 0.85 DRD2 (0.55) DRD2DRD4DRD3HRH3ACHE
SCHEMBL5781625 0.81 DRD2 (0.48) DRD2DRD4DRD3HRH3ACHE
SCHEMBL5781757 0.81 CHRM2 (0.39) DRD2DRD4DRD3SIGMAR1HRH3
SCHEMBL5782251 0.79 MAOB (0.56) DRD2DRD4DRD3CHRM2CHRM3
SCHEMBL5783358 0.79 DRD2 (0.52) DRD2DRD4DRD3SIGMAR1HRH3
SCHEMBL5780374 0.79 DRD2 (0.42) DRD2DRD4DRD3HRH3ACHE
SCHEMBL6892501 0.78 DRD2 (0.37) DRD2SIGMAR1
SCHEMBL5780975 0.78 MPO (0.46) DRD2DRD4DRD3SIGMAR1HRH3
SCHEMBL5778729 0.78 ACHE (0.49) DRD2DRD4DRD3CHRM2CHRM1
SCHEMBL5779220 0.78 DRD2 (0.47) DRD2DRD4DRD3SIGMAR1HRH3

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.