SCHEMBL2157646

SCHEMBL2157646

O=C(CCc1ccccc1OC(F)(F)F)N1CCN(CCOc2ccccc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
EPHX2 P34913 4/20 0.46
KDM4E B2RXH2 3/20 0.46
SIGMAR1 Q99720 1/20 0.45
DRD2 P14416 4/20 0.43
SLC6A3 Q01959 4/20 0.43
ALDH1A1 P00352 2/20 0.43
FKBP1A P62942 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 1/20 0.42
KCNA5 P22460 1/20 0.42
SLC6A2 P23975 1/20 0.41

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
SCHEMBL2157515 0.92 EPHX2 (0.44) NPC1GAARAB9AEPHX2SIGMAR1
SCHEMBL2158356 0.89 KCNA5 (0.50) EPHX2SIGMAR1DRD2SLC6A3MEN1
SCHEMBL2157523 0.86 KCNA5 (0.49) NPC1GAARAB9AEPHX2KDM4E
Hydrochloric Acid SCHEMBL2158399 0.85 KCNA5 (0.48) NPC1GAARAB9AEPHX2KDM4E
SCHEMBL2157760 0.84 GAA (0.46) NPC1GAARAB9AEPHX2KDM4E
SCHEMBL2157502 0.82 DRD3 (0.51) NPC1GAARAB9AEPHX2KDM4E
SCHEMBL2157220 0.80 HRH3 (0.53) NPC1GAARAB9AEPHX2KDM4E
SCHEMBL2157950 0.79 GAA (0.48) NPC1GAARAB9AKDM4ESIGMAR1
SCHEMBL2157304 0.77 NPC1 (0.48) NPC1GAARAB9AKDM4ESIGMAR1
SCHEMBL2157290 0.77 CACNA1F (0.53) NPC1GAARAB9AKDM4ESIGMAR1

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
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 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-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 (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-20100137334-A1 Piperidine and Piperazine Derivatives SIGMAR1, OPRM1, OPRD1 NPC1 787/4885GAA 3445/4885RAB9A 3006/4885

“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.