SCHEMBL5778870

SCHEMBL5778870

O=c1[nH]cccc1CN1CCC(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 4/20 0.61
ALDH1A1 P00352 3/20 0.61
CCR3 P51677 7/20 0.60
HTR1A P08908 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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 0.87 DRD2 (0.55) ATMALDH1A1
SCHEMBL5779220 0.85 DRD2 (0.47) ATMALDH1A1SIGMAR1
SCHEMBL5783693 0.84 DRD2 (0.47) ATMALDH1A1CCR3SIGMAR1
SCHEMBL5781228 0.82 CCR3 (0.43) ATMALDH1A1CCR3
SCHEMBL5781625 0.81 DRD2 (0.48)
SCHEMBL8570573 0.81 CCR3 (0.67) ATMALDH1A1CCR3SIGMAR1GAA
Oxalic Acid SCHEMBL5782852 0.81 DRD2 (0.46) ALDH1A1CCR3SIGMAR1KDM4E
SCHEMBL5780978 0.80 MEN1 (0.42) ATMALDH1A1SIGMAR1KDM4EMAPT
SCHEMBL5777415 0.80 BCHE (0.48)
SCHEMBL5781065 0.79 ACHE (0.39) ATMALDH1A1SIGMAR1GAAMAPT

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 ATM 4830/4885ALDH1A1 408/4885CCR3 1473/4885

“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.