SCHEMBL623901

SCHEMBL623901

COc1ccc(-n2ncc(C(=O)N3CCN(c4cc(OCC(C)C)ncn4)CC3)c2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
MAPK1 P28482 2/20 0.45
POLB P06746 1/20 0.45
OXTR P30559 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GFER P55789 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GAA P10253 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
SCHEMBL624051 0.91 MAPT (0.44) MAPTLMNATSHRALDH1A1NPSR1
SCHEMBL623902 0.91 ALDH1A1 (0.47) MAPTMAPK1KMT2ALMNAMEN1
SCHEMBL623296 0.81 MAPT (0.45) MAPTMAPK1POLBKMT2ALMNA
SCHEMBL624261 0.78 ALDH1A1 (0.46) MAPTMAPK1LMNAALDH1A1NPSR1
SCHEMBL12931786 0.75 MAPT (0.55) MAPTMAPK1OXTRTDP1KMT2A
SCHEMBL623202 0.75 PTGS2 (0.43) MAPTTDP1KMT2ALMNAMEN1
SCHEMBL624631 0.75 TP53 (0.45) MAPTKMT2ALMNATSHRALDH1A1
SCHEMBL624197 0.74 GHSR (0.42) MAPTPOLBKMT2ALMNAMEN1
SCHEMBL624243 0.74 GAA (0.57) MAPTMAPK1KMT2ALMNAMEN1
SCHEMBL624228 0.74 HTR2A (0.49) KMT2ATSHRALDH1A1NPC1RAB9A

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 MAPT 3432/4885MAPK1 4261/4885POLB 3044/4885

“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.