SCHEMBL7029689

SCHEMBL7029689

OCCN(CCBr)CCOc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
RECQL P46063 1/20 0.55
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNA3 P22001 1/20 0.45
LTA4H P09960 3/20 0.45
CYP2D6 P10635 2/20 0.44
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ESR1 P03372 5/20 0.41
KCNH2 Q12809 2/20 0.41
EBP Q15125 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
CHRM2 P08172 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 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
SCHEMBL22831345 0.93 ALDH1A1 (0.63) ALDH1A1RECQLKMT2AKDM4EMEN1
SCHEMBL1333744 0.93 ALDH1A1 (0.63) ALDH1A1RECQLKMT2AKDM4EMEN1
SCHEMBL6565396 0.84 ALDH1A1 (0.61) ALDH1A1RECQLKMT2AKDM4EMEN1
SCHEMBL21195812 0.83 KCNA3 (0.64) ALDH1A1RECQLKMT2AKDM4EMEN1
SCHEMBL2740835 0.76 ALDH1A1 (0.60) ALDH1A1RECQLKMT2AKDM4EMEN1
SCHEMBL9056161 0.75 ALDH1A1 (0.50) ALDH1A1RECQLKMT2AMEN1SMN1; SMN2
SCHEMBL22831363 0.75 ALDH1A1 (0.59) ALDH1A1RECQLKMT2AKDM4EMEN1
SCHEMBL8391003 0.75 APP (0.50) ALDH1A1RECQLKMT2ASMN1; SMN2LTA4H
SCHEMBL13406719 0.74 KCNA3 (0.52) ALDH1A1RECQLKMT2AKDM4EMEN1
SCHEMBL1333160 0.74 KCNA3 (0.52) ALDH1A1RECQLKMT2AKDM4EMEN1

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
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 US disclosed
US-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 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 (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 ALDH1A1 509/4885RECQL 1071/4885KMT2A 1809/4885

“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.