SCHEMBL2158369

SCHEMBL2158369

CS(=O)(=O)c1ccc(CCC(=O)N2CCN(CCOc3ccccc3F)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.47
TSHR P16473 2/20 0.47
POLB P06746 1/20 0.47
CACNA1F O60840 1/20 0.45
HTR1A P08908 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
HRH2 P25021 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
ADRA1B P35368 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL2157384 0.90 CACNA1F (0.46) GAATSHRPOLBCACNA1FHTR1A
SCHEMBL2157950 0.89 GAA (0.48) GAANPC1RAB9AKDM4ETSHR
SCHEMBL2157773 0.86 DRD3 (0.52) GAACACNA1FHTR1AADORA3DRD4
SCHEMBL2157290 0.85 CACNA1F (0.53) GAANPC1RAB9AKDM4ETSHR
SCHEMBL2157404 0.85 HTR7 (0.52) GAANPC1RAB9AKDM4ETSHR
SCHEMBL2157304 0.85 NPC1 (0.48) GAANPC1RAB9AKDM4ETSHR
SCHEMBL2157259 0.83 ME2 (0.53) GAANPC1RAB9AKDM4ETSHR
SCHEMBL2157424 0.83 NPC1 (0.46) GAANPC1RAB9AKDM4ETSHR
SCHEMBL2158187 0.83 FAAH (0.46) GAANPC1RAB9AKDM4ETSHR
SCHEMBL2157523 0.82 KCNA5 (0.49) GAANPC1RAB9AKDM4ETSHR

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 GAA 3445/4885NPC1 787/4885RAB9A 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.