SCHEMBL4425180

SCHEMBL4425180

CC(C)(C)OC(=O)N1CCN(c2cc(C(F)(F)F)cnn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.51
▸ GPR119 Q8TDV5 5/20 0.50
▸ CKS1B P61024 2/20 0.47
▸ SKP1 P63208 2/20 0.47
▸ SKP2 Q13309 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CCR2 P41597 3/20 0.44
▸ KCNH2 Q12809 2/20 0.43
▸ STS P08842 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ SMARCA2 P51531 1/20 0.43
▸ SMARCA4 P51532 1/20 0.43
▸ PBRM1 Q86U86 1/20 0.43
▸ PDK2 Q15119 1/20 0.42

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
SCHEMBL38663361 0.82 CKS1B (0.49) TRPV1GPR119CKS1BSKP1SKP2
SCHEMBL18790713 0.82 CKS1B (0.49) TRPV1GPR119CKS1BSKP1SKP2
SCHEMBL15114941 0.81 CKS1B (0.48) TRPV1GPR119CKS1BSKP1SKP2
SCHEMBL26127089 0.81 HRH3 (0.60) TRPV1GPR119CKS1BSKP1SKP2
SCHEMBL29668815 0.81 GPR119 (0.48) GPR119CKS1BSKP1SKP2HPGD
SCHEMBL1580434 0.81 GPR119 (0.48) GPR119CKS1BSKP1SKP2HPGD
SCHEMBL27648857 0.81 TRPV1 (0.46) TRPV1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL18791088 0.79 CKS1B (0.49) GPR119CKS1BSKP1SKP2MAP4K4
SCHEMBL17038781 0.79 SMN1; SMN2 (0.74) HPGDSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL29564805 0.79 SMN1; SMN2 (0.74) HPGDSMN1; SMN2MAPTMEN1KMT2A

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 TRPV1 169/4885GPR119 363/4885CKS1B 4628/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 TRPV1 169/4885GPR119 363/4885CKS1B 4628/4885

“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.

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