SCHEMBL622994

SCHEMBL622994

O=C(Cc1noc2ccccc12)N1CCN(c2cc(OCC(F)(F)F)ncn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
THRB P10828 4/20 0.50
TP53 P04637 5/20 0.49
MAPT P10636 4/20 0.45
CXCR3 P49682 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.39
ACACB O00763 1/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL623992 0.86 LMNA (0.52) LMNATHRBTP53MAPTCXCR3
SCHEMBL622943 0.83 LMNA (0.49) LMNATHRBTP53MAPTCXCR3
SCHEMBL623662 0.76 SMN1; SMN2 (0.63) LMNATP53MAPTKDM4EPOLB
SCHEMBL624183 0.76 ACACB (0.41) MAPTCXCR3KDM4EACACBALDH1A1
SCHEMBL624545 0.75 RBP4 (0.49) LMNAMAPTALDH1A1GAAHTT
SCHEMBL622196 0.74 CYP3A4 (0.54) LMNATP53MAPTKDM4EPOLB
SCHEMBL624639 0.74 DRD2 (0.51) LMNAMAPTKDM4EACACBALDH1A1
SCHEMBL624103 0.72 ENPP2 (0.50) LMNAMAPTACACBALDH1A1HTT
SCHEMBL624370 0.72 ENPP2 (0.54) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL623694 0.72 RAB9A (0.42) LMNATP53MAPTKDM4EACACB

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 LMNA 2282/4885THRB 749/4885TP53 4837/4885

“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.