SCHEMBL4424363

SCHEMBL4424363

Cn1nnc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ ESR2 Q92731 1/20 0.60
▸ LMNA P02545 3/20 0.54
▸ NAMPT P43490 1/20 0.50
▸ GPR119 Q8TDV5 7/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HTT P42858 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ JAK2 O60674 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ NR2F2 P24468 1/20 0.46
▸ RET P07949 1/20 0.45

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
SCHEMBL21876057 0.84 MAPT (0.62) MAPTALDH1A1ESR2LMNANAMPT
SCHEMBL12041540 0.81 ALDH1A1 (0.61) MAPTALDH1A1ESR2NAMPTGPR119
SCHEMBL18113520 0.81 GPR119 (0.67) MAPTALDH1A1ESR2LMNANAMPT
SCHEMBL5573222 0.81 MAPT (0.76) MAPTALDH1A1LMNANAMPTGPR119
SCHEMBL1199807 0.81 MAPT (0.58) MAPTALDH1A1ESR2LMNANAMPT
SCHEMBL25418509 0.80 RET (0.47) MAPTALDH1A1ESR2GPR119RET
SCHEMBL7219737 0.79 MAPT (0.54) MAPTALDH1A1ESR2LMNANAMPT
SCHEMBL941160 0.79 ALDH1A1 (0.62) MAPTALDH1A1LMNANAMPTGPR119
SCHEMBL4940964 0.79 MAPT (0.56) MAPTALDH1A1ESR2LMNANAMPT
SCHEMBL27025951 0.78 MAPT (0.58) MAPTALDH1A1ESR2LMNANAMPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605163-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-20 — — US disclosed
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES JOLIDON SYNESE 2008-05-22 — — US disclosed
US-7319099-B2 Such as 1-{3-fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl benzoyl)-piperazin-1-yl]-phenyl}-ethanone for treatment of psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia, attention deficit disorders, or Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-01-15 — — US disclosed
EP-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 — — EP disclosed
EP-1656361-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 — — EP disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 — — US disclosed
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 — — 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 (2 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-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 MAPT 150/4885ALDH1A1 1436/4885ESR2 2705/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 MAPT 150/4885ALDH1A1 1436/4885ESR2 2705/4885

“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.

Send feedback