SCHEMBL5778181

SCHEMBL5778181

C(=CC1CCNCC1)c1ccc(OCC2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
SLC6A2 P23975 6/20 0.48
SLC6A4 P31645 6/20 0.48
SLC6A3 Q01959 3/20 0.48
HTR3A P46098 2/20 0.48
KCNH2 Q12809 2/20 0.48
PARP15 Q460N3 5/20 0.45
PARP10 Q53GL7 5/20 0.45
KDM1A O60341 1/20 0.40
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
CYP2D6 P10635 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL20024716 0.82 HPGD (0.58) HPGDPARP15PARP10TLR4TLR2
SCHEMBL1477872 0.76 SLC6A4 (0.43) HPGDSLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL1477869 0.76 SLC6A4 (0.43) HPGDSLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL13402005 0.76 MAOB (0.47) HPGDTDP1PARP15PARP10KDM1A
SCHEMBL5782069 0.76 SIGMAR1 (0.51) HRH3
SCHEMBL12735833 0.76 TDP1 (0.56) HPGDTDP1SLC6A2SLC6A4SLC6A3
SCHEMBL9562264 0.75 MAOB (0.55) HPGDTDP1KDM1ACYP2D6MAOA
SCHEMBL6009169 0.75 MAOB (0.55) HPGDTDP1KDM1ACYP2D6MAOA
SCHEMBL9636658 0.75 PARP10 (0.57) HPGDPARP15PARP10PARP2
SCHEMBL154421 0.75 PARP10 (0.57) HPGDPARP15PARP10PARP2

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 HPGD 589/4885TDP1 4394/4885SLC6A2 341/4885

“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.