SCHEMBL5780593

SCHEMBL5780593

O=C(CCC1CCN(Cc2ccc[nH]c2=O)CC1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.65
BCHE P06276 4/20 0.65
HTR4 Q13639 1/20 0.53
SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL5777415 0.88 BCHE (0.48) ACHEBCHE
SCHEMBL5781460 0.81 DRD2 (0.55) ACHE
Oxalic Acid SCHEMBL5782385 0.80 KDM4E (0.44) ACHEBCHEHTR4SIGMAR1
Oxalic Acid SCHEMBL5782852 0.79 DRD2 (0.46) ACHEBCHEHTR4SIGMAR1
SCHEMBL5780975 0.79 MPO (0.46) ACHEBCHESIGMAR1
SCHEMBL5779220 0.79 DRD2 (0.47) ACHESIGMAR1
SCHEMBL5778870 0.78 ATM (0.61) SIGMAR1
SCHEMBL5783693 0.78 DRD2 (0.47) ACHESIGMAR1
SCHEMBL27587891 0.77 TMEM97 (0.44) ACHEBCHESIGMAR1
SCHEMBL5781924 0.77 ACHE (0.43) ACHE

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 ACHE 1318/4885BCHE 3781/4885HTR4 413/4885

“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.