SCHEMBL623214

SCHEMBL623214

O=C(COc1cccc2cccnc12)N1CCN(c2cc(OCC(F)(F)F)ncn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.52
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
HSD17B10 Q99714 3/20 0.50
TSHR P16473 2/20 0.50
RECQL P46063 1/20 0.50
HTT P42858 2/20 0.49
HPGD P15428 1/20 0.49
ACHE P22303 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 3/20 0.43
ENPP2 Q13822 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 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
SCHEMBL623282 0.86 KDM4E (0.52) KDM4EALDH1A1MAPTHSD17B10TSHR
SCHEMBL620825 0.81 KDM4E (0.44) KDM4EALDH1A1MAPTHSD17B10TSHR
SCHEMBL624103 0.80 ENPP2 (0.50) ALDH1A1MAPTHSD17B10TSHRHTT
SCHEMBL624370 0.80 ENPP2 (0.54) KDM4EALDH1A1MAPTTSHRRECQL
SCHEMBL623662 0.76 SMN1; SMN2 (0.63) KDM4EALDH1A1MAPTHSD17B10TSHR
SCHEMBL624181 0.76 CCKAR (0.43) KDM4EALDH1A1MAPTHTTMEN1
SCHEMBL622993 0.75 MEN1 (0.45) KDM4EALDH1A1MAPTHSD17B10TSHR
SCHEMBL624158 0.74 ENPP2 (0.54) KDM4EALDH1A1MAPTHSD17B10TSHR
SCHEMBL624183 0.74 ACACB (0.41) KDM4EALDH1A1MAPTHSD17B10RECQL
SCHEMBL622335 0.73 MAPT (0.47) KDM4EALDH1A1MAPTHSD17B10TSHR

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 KDM4E 1537/4885ALDH1A1 2071/4885MAPT 3432/4885

“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.