SCHEMBL5779220

SCHEMBL5779220

O=c1[nH]cccc1CN1CCC(CCCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
ACHE P22303 2/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
SLC18A3 Q16572 1/20 0.44
ATM Q13315 3/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL5783693 0.96 DRD2 (0.47) DRD2DRD4DRD3ACHEHTR2A
SCHEMBL5781460 0.93 DRD2 (0.55) DRD2DRD4DRD3ACHEHRH3
SCHEMBL5781625 0.86 DRD2 (0.48) DRD2DRD4DRD3ACHEHRH3
Oxalic Acid SCHEMBL5782852 0.85 DRD2 (0.46) DRD2DRD4DRD3ACHESIGMAR1
SCHEMBL5778870 0.85 ATM (0.61) SIGMAR1ATMALDH1A1
SCHEMBL5782055 0.82 CHRM2 (0.38) ACHESIGMAR1
SCHEMBL5781924 0.81 ACHE (0.43) DRD2DRD4DRD3ACHEHRH3
SCHEMBL5780975 0.81 MPO (0.46) DRD2DRD4DRD3ACHESIGMAR1
SCHEMBL5778729 0.81 ACHE (0.49) DRD2DRD4DRD3ACHEHTR2C
Hydrochloric Acid SCHEMBL6890167 0.81 CCR3 (0.45) 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 5 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
CN-1395575-A Novel piperidine compounds and drugs containing the same EISAI CO LTD (JP) 2003-02-05 CN 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.