SCHEMBL5779405

SCHEMBL5779405

N#CC(Cc1ccccc1)C1CCN(Cc2ccc[nH]c2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
ATM Q13315 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CTSC P53634 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ACHE P22303 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL5780978 0.84 MEN1 (0.42) SIGMAR1ATMALDH1A1L3MBTL1
SCHEMBL5781065 0.83 ACHE (0.39) SIGMAR1ATMALDH1A1L3MBTL1ACHE
SCHEMBL5781929 0.82 CCR3 (0.38) SIGMAR1ATMALDH1A1L3MBTL1
SCHEMBL5800740 0.80 ATM (0.39) SIGMAR1ATMALDH1A1ACHE
SCHEMBL5778819 0.80 SIGMAR1 (0.39) SIGMAR1ATMALDH1A1L3MBTL1ACHE
SCHEMBL5781370 0.80 RECQL (0.38) SIGMAR1ATMALDH1A1L3MBTL1ACHE
SCHEMBL6888193 0.77 SMN1; SMN2 (0.36) SIGMAR1ALDH1A1L3MBTL1ACHE
SCHEMBL5782582 0.77 CYP2D6 (0.39) SIGMAR1ALDH1A1L3MBTL1HRH3
SCHEMBL5778870 0.77 ATM (0.61) SIGMAR1ATMALDH1A1L3MBTL1
SCHEMBL5783601 0.75 SLC6A2 (0.36) SIGMAR1

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 3 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

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 SIGMAR1 275/4885ATM 4830/4885ALDH1A1 408/4885

“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.