SCHEMBL682541

SCHEMBL682541

CCOc1ccc(N2CCN(C(C)=O)CC2)cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.49
PDE4B Q07343 5/20 0.49
ALOX15 P16050 1/20 0.48
MAPT P10636 4/20 0.48
PDE4A P27815 3/20 0.48
PDE4C Q08493 3/20 0.48
PDE4D Q08499 3/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL681898 0.87 PDE4B (0.64) ALKPDE4BPDE4APDE4CPDE4D
SCHEMBL882505 0.84 PDE4B (0.44) PDE4BMAPTPDE4APDE4CPDE4D
SCHEMBL16752962 0.79 CASP6 (0.55) ALKALOX15MAPTGAASMN1; SMN2
SCHEMBL682962 0.79 KDM4E (0.40) ALKPDE4BALOX15MAPTPDE4A
SCHEMBL6539208 0.76 GFER (0.57) MAPTSMN1; SMN2KMT2AALDH1A1L3MBTL1
SCHEMBL2139553 0.75 ACACB (0.40) PDE4BALOX15PDE4APDE4CPDE4D
SCHEMBL2139548 0.75 ACACB (0.40) PDE4BALOX15PDE4APDE4CPDE4D
SCHEMBL16753004 0.75 MAPT (0.73) ALKMAPTGAASMN1; SMN2KDM4E
SCHEMBL8259410 0.75 GFER (0.59) MAPTSMN1; SMN2KMT2AALDH1A1L3MBTL1
SCHEMBL10266501 0.74 PDE4B (0.42) PDE4BMAPTPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 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-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D ALK 3664/4885PDE4B 2/4885ALOX15 1968/4885

“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.