Sugi Predict

Sugi Predict / Compounds / SCHEMBL623228

SCHEMBL623228

SCHEMBL623228

CC(C)COc1cc(N2CCN(C(=O)Cc3cn(C)c4ccccc34)CC2)ncn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.54
▸ HTT P42858 4/20 0.54
▸ LMNA P02545 4/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ ALDH1A1 P00352 6/20 0.52
▸ NPSR1 Q6W5P4 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ MC4R P32245 1/20 0.42
▸ KDM4E B2RXH2 7/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CXCR3 P49682 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ SYK P43405 1/20 0.38

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 0.82 LMNA (0.45) MAPTHTTLMNAMAPK1ALDH1A1
SCHEMBL15006744 0.81 KDM4E (0.44) MAPTHTTLMNAALDH1A1NPSR1
SCHEMBL624510 0.79 MAPT (0.44) MAPTHTTLMNAALDH1A1NPSR1
SCHEMBL623992 0.79 LMNA (0.52) MAPTLMNASMN1; SMN2KDM4ECXCR3
SCHEMBL623916 0.79 LMNA (0.39) MAPTLMNAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL622626 0.78 DRD2 (0.52) MAPTLMNAMAPK1ALDH1A1NPSR1
SCHEMBL624464 0.77 KMT2A (0.54) MAPTHTTLMNAMAPK1ALDH1A1
SCHEMBL624206 0.77 NPC1 (0.45) LMNAMAPK1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL623234 0.76 ELOVL1 (0.51) MAPTNPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL624044 0.76 CKS1B (0.41) HTTALDH1A1SMN1; SMN2

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 10 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
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 3432/4885HTT 362/4885LMNA 2282/4885

“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.