SCHEMBL623784

SCHEMBL623784

O=C(c1ccc2cccc(O)c2n1)N1CCN(c2cc(OC3CCC3)ncn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.43
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ACACB O00763 2/20 0.41
PIM1 P11309 2/20 0.39
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
CHRM4 P08173 1/20 0.38
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
S1PR1 P21453 1/20 0.37
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35

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
SCHEMBL623169 0.86 TSHR (0.53) GAAALDH1A1ACACBKDM4ETSHR
SCHEMBL622785 0.82 GAA (0.41) GAAALDH1A1PIM1KDM4EKMT2A
SCHEMBL624181 0.82 CCKAR (0.43) GAAALDH1A1ACACBPIM1KCNK3
SCHEMBL623285 0.81 ACACB (0.45) ACACBCHRM4KMT2APOLB
SCHEMBL623906 0.79 PTK2 (0.54) ACACBCHRM4TSHR
SCHEMBL623193 0.76 ALDH1A1 (0.61) ALDH1A1ACACBKCNK3KCNK9CHRM4
SCHEMBL623470 0.75 ALOX15 (0.45) ALDH1A1ACACBKDM4EKMT2ATSHR
SCHEMBL623587 0.75 L3MBTL1 (0.48) ALDH1A1ACACBCHRM4KDM4EKMT2A
SCHEMBL624105 0.74 ACACB (0.41) ALDH1A1ACACBCHRM4KDM4EKMT2A
SCHEMBL1810159 0.73 SCD5 (0.54) PDE4DGAAALDH1A1PIM1KDM4E

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 PDE4D 943/4885GAA 1067/4885ALDH1A1 2071/4885

“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.