SCHEMBL5780772

SCHEMBL5780772

O=c1[nH]cccc1CN1CCC(CCc2cccnc2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
ACHE P22303 6/20 0.40
HRH3 Q9Y5N1 1/20 0.39
FAAH O00519 1/20 0.39
CXCR4 P61073 1/20 0.38
CHRM4 P08173 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36

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
SCHEMBL5780288 0.84 DRD2 (0.45) DRD2DRD4DRD3ACHEHRH3
SCHEMBL5783637 0.84 HRH3 (0.38) DRD2DRD4DRD3ACHEHRH3
SCHEMBL5802128 0.84 DRD2 (0.47) DRD2DRD4DRD3ACHEHRH3
SCHEMBL5782499 0.83 DRD2 (0.47) DRD2DRD4DRD3ACHEHRH3
SCHEMBL5781846 0.83 DRD2 (0.44) DRD2DRD4DRD3ACHEHRH3
SCHEMBL5783119 0.83 DRD2 (0.43) DRD2DRD4DRD3ACHEHRH3
SCHEMBL5781082 0.82 DRD2 (0.47) DRD2DRD4DRD3ACHEHRH3
SCHEMBL5781130 0.82 DRD2 (0.43) DRD2DRD4DRD3ACHEHRH3
SCHEMBL6895233 0.82 DRD2 (0.49) DRD2DRD4DRD3ACHEHRH3
SCHEMBL7243821 0.82 DRD2 (0.43) DRD2DRD4DRD3ACHEHRH3

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.