SCHEMBL1332740

SCHEMBL1332740

FC(F)(F)c1ccc(CCN2CCN(CCOc3ccccc3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.65
KCNH2 Q12809 3/20 0.61
DRD2 P14416 3/20 0.61
LTA4H P09960 6/20 0.59
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
DRD1 P21728 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL1333924 0.86 KCNH2 (0.65) L3MBTL1KCNH2DRD2
SCHEMBL1332739 0.86 KDM4E (0.67) L3MBTL1KCNH2DRD2LTA4HKDM4E
SCHEMBL13150803 0.86 ALDH1A1 (0.73) L3MBTL1KCNH2DRD2LTA4HKDM4E
SCHEMBL1334087 0.85 LTA4H (0.71) KCNH2LTA4H
SCHEMBL2158179 0.85 KCNH2 (0.64) KCNH2LTA4HDRD3
Hydrochloric Acid SCHEMBL1333259 0.85 KDM4E (0.65) L3MBTL1KCNH2DRD2LTA4HKDM4E
SCHEMBL1334161 0.85 KCNH2 (0.66) KCNH2DRD2LTA4HDRD3
Hydrochloric Acid SCHEMBL1334253 0.84 KCNH2 (0.73) KCNH2LTA4H
SCHEMBL1334145 0.81 SIGMAR1 (0.71) KCNH2DRD2LTA4HDRD3
SCHEMBL13150800 0.81 LMNA (0.74) L3MBTL1DRD2LTA4HKDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 US disclosed
US-20110281890-A1 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION 2011-11-17 US disclosed
EP-2340835-A1 Piperidine and piperazine derivatives M's Science Corporation (JP) 2011-07-06 EP disclosed
EP-1976525-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2010-11-03 EP disclosed
US-20100256162-A1 Piperazine and Piperidine Derivatives AGY THERAPEUTICS, INC. (US) 2010-10-07 US disclosed
US-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 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 (3 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-20100137334-A1 Piperidine and Piperazine Derivatives SIGMAR1, OPRM1, OPRD1 L3MBTL1 1911/4885KCNH2 332/4885DRD2 28/4885
US-20110281890-A1 Piperidine and piperazine derivatives SIGMAR1, OPRM1, OPRD1 L3MBTL1 1744/4885KCNH2 369/4885DRD2 17/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 L3MBTL1 1771/4885KCNH2 360/4885DRD2 22/4885

“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.