SCHEMBL5780978

SCHEMBL5780978

O=c1[nH]cccc1CN1CCC(C(O)Cc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
MAPT P10636 1/20 0.41
CCR8 P51685 1/20 0.39
KCNH2 Q12809 1/20 0.39
ATM Q13315 3/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CXCR4 P61073 1/20 0.38

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
SCHEMBL5781065 0.87 ACHE (0.39) MEN1KMT2ASIGMAR1MAPTATM
SCHEMBL5781929 0.86 CCR3 (0.38) SIGMAR1ATMALDH1A1KDM4ECYP1A2
SCHEMBL5778819 0.84 SIGMAR1 (0.39) MEN1KMT2ASIGMAR1MAPTCCR8
SCHEMBL5800740 0.84 ATM (0.39) MEN1KMT2ASIGMAR1ATMALDH1A1
SCHEMBL5779405 0.84 SIGMAR1 (0.36) SIGMAR1ATMALDH1A1L3MBTL1
SCHEMBL5781370 0.83 RECQL (0.38) MEN1KMT2ASIGMAR1MAPTATM
SCHEMBL6888193 0.81 SMN1; SMN2 (0.36) MEN1KMT2ASIGMAR1ALDH1A1HTR2A
SCHEMBL5782582 0.81 CYP2D6 (0.39) MEN1KMT2ASIGMAR1KCNH2ALDH1A1
SCHEMBL5778870 0.80 ATM (0.61) MEN1KMT2ASIGMAR1MAPTATM
SCHEMBL5783601 0.78 SLC6A2 (0.36) MEN1KMT2ASIGMAR1

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 MEN1 3216/4885KMT2A 1308/4885SIGMAR1 275/4885

“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.