SCHEMBL623897

SCHEMBL623897

CC(C)COc1cc(N2CCN(C(=O)c3cc4nccnc4s3)CC2)ncn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
P2RY12 Q9H244 1/20 0.35
KMT2A Q03164 2/20 0.34
TSHR P16473 2/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
LRRK2 Q5S007 3/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL624214 0.86 PRLHR (0.40) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL623239 0.81 ALDH1A1 (0.52) ALDH1A1TSHRMAPTGAASMN1; SMN2
SCHEMBL623703 0.80 HRH4 (0.54) MAPTTP53
SCHEMBL623705 0.77 SMN1; SMN2 (0.45) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL624636 0.76 ALDH1A1 (0.58) ALDH1A1HPGDHSD17B10TSHRMAPT
SCHEMBL624044 0.76 CKS1B (0.41) ALDH1A1P2RY12LRRK2HTTSMN1; SMN2
SCHEMBL623690 0.76 POLB (0.51) ALDH1A1KDM4EHSD17B10KMT2AMAPT
SCHEMBL624384 0.75 MEN1 (0.34) ALDH1A1HPGDKMT2ATSHRLRRK2
Hydrochloric Acid SCHEMBL624304 0.75 LRRK2 (0.39) P2RY12KMT2ALRRK2MEN1
SCHEMBL622970 0.74 KMT2A (0.41) ALDH1A1KMT2AGAAMEN1

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 ALDH1A1 2071/4885HPGD 967/4885KDM4E 1537/4885

“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.