SCHEMBL624700

SCHEMBL624700

CC(C)COc1cc(N2CCN(C(=O)Cc3nc4ccccc4[nH]3)CC2)ncn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
TSHR P16473 2/20 0.57
USP2 O75604 3/20 0.45
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CXCR3 P49682 7/20 0.41
PARP1 P09874 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
DRD4 P21917 3/20 0.40
DRD2 P14416 1/20 0.40
RHEB Q15382 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL624097 0.80 LMNA (0.45) LMNAMAPTHTTMAPK1HSD17B10
SCHEMBL624215 0.79 LMNA (0.42) LMNAHSD17B10SMN1; SMN2KDM4EALDH1A1
SCHEMBL623221 0.79 SCN7A (0.49) LMNATSHRMAPTHSD17B10SMN1; SMN2
SCHEMBL624361 0.78 ALDH1A1 (0.57) LMNATSHRMAPTPKMMAPK1
SCHEMBL623288 0.78 IRAK4 (0.43) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL624304 0.77 LRRK2 (0.39)
SCHEMBL624464 0.77 KMT2A (0.54) LMNAUSP2MAPTHTTPKM
SCHEMBL15006744 0.77 KDM4E (0.44) LMNATSHRMAPTHTTHSD17B10
SCHEMBL623234 0.76 ELOVL1 (0.51) MAPTHSD17B10SMN1; SMN2KDM4E
SCHEMBL624044 0.76 CKS1B (0.41) HTTSMN1; SMN2ALDH1A1

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 2282/4885TSHR 1643/4885USP2 3809/4885

“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.