SCHEMBL624201

SCHEMBL624201

CC(C)COc1cc(N2CCN(C(=O)c3cccc(OC(F)(F)F)c3)CC2)ncn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.48
SLC6A7 Q99884 1/20 0.48
KDM4E B2RXH2 1/20 0.48
RECQL P46063 1/20 0.48
MAPK7 Q13164 2/20 0.47
HSD11B1 P28845 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
TIPARP Q7Z3E1 1/20 0.41
PDE2A O00408 2/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
IDE P14735 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 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
SCHEMBL623279 0.86 SMN1; SMN2 (0.48) KDM4ERECQLALDH1A1GAAHTT
SCHEMBL623690 0.81 POLB (0.51) SLC6A7KDM4EMEN1KMT2AALDH1A1
SCHEMBL623173 0.79 ALDH1A1 (0.41) MGLLKDM4EMEN1KMT2AALDH1A1
SCHEMBL623893 0.79 ALDH1A1 (0.43) MGLLKDM4EMEN1KMT2AALDH1A1
SCHEMBL624025 0.79 ALDH1A1 (0.42) KDM4ERECQLMEN1KMT2AALDH1A1
SCHEMBL622699 0.79 MGLL (0.46) MGLLMEN1KMT2AALDH1A1HTT
SCHEMBL624371 0.78 KCNK3 (0.44) HTTKCNK3KCNK9SMN1; SMN2
SCHEMBL623466 0.77 ALDH1A1 (0.44) MGLLSLC6A7MEN1KMT2AALDH1A1
SCHEMBL622833 0.77 LOXL2 (0.43) MGLLMEN1KMT2AALDH1A1HPGD
SCHEMBL623267 0.76 KCNK3 (0.43) KDM4EMEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US claimed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 US claimed
WO-2012020567-A1 ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-02-16 WO claimed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 US disclosed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 US disclosed
WO-2012020567-A1 ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-02-16 WO 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-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers SCN5A, SCN2A, CACNA1G MGLL 3566/4885SLC6A7 128/4885KDM4E 1537/4885

“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.