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SCHEMBL1019985

SCHEMBL1019985

CCOc1cc(NC(=O)NCC2CC2)c(Cl)cc1C(=O)N1CCN(Cc2cccc(C(=O)NC(C)(C)C)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ HTT P42858 2/20 0.46
▸ DRD4 P21917 5/20 0.42
▸ DRD2 P14416 4/20 0.42
▸ DRD3 P35462 4/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ SSTR5 P35346 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC11 Q96DB2 2/20 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
SCHEMBL3694681 0.96 TP53 (0.44) TP53SMN1; SMN2MAPTHTTDRD4
SCHEMBL13663348 0.87 TP53 (0.49) TP53SMN1; SMN2MAPTHTTDRD4
SCHEMBL1017763 0.85 HTT (0.55) TP53SMN1; SMN2MAPTHTTMAPK1
SCHEMBL1020915 0.83 LMNA (0.46) SMN1; SMN2DRD4DRD2DRD3MAPK1
SCHEMBL1021466 0.83 HTT (0.47) TP53SMN1; SMN2MAPTHTTMAPK1
SCHEMBL1018936 0.83 HTT (0.47) TP53SMN1; SMN2MAPTHTTMAPK1
SCHEMBL1019060 0.82 DRD4 (0.45) SMN1; SMN2MAPTHTTDRD4DRD2
SCHEMBL1019828 0.82 HTT (0.45) TP53SMN1; SMN2MAPTHTTMAPK1
SCHEMBL13660730 0.80 TP53 (0.49) TP53SMN1; SMN2MAPTHTTMAPK1
SCHEMBL1020415 0.79 HTT (0.46) TP53SMN1; SMN2MAPTHTTMAPK1

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-8314091-B2 N-benzyl,N'-arylcarbonylpiperazine derivatives MSD OSS B.V. (NL) 2012-11-20 — — US disclosed
US-8314091-B2 N-benzyl,N'-arylcarbonylpiperazine derivatives MSD OSS B.V. (NL) 2012-11-20 — — US disclosed
EP-2190827-B1 N-BENZYL-N'-ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS ORGANON NV (NL) 2011-01-12 — — EP disclosed
EP-2190827-B1 N-BENZYL-N'-ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS ORGANON NV (NL) 2011-01-12 — — EP disclosed
EP-2190827-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. Organon (NL) 2010-06-02 — — EP disclosed
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 — — US disclosed
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 — — US disclosed
WO-2009024550-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. ORGANON (NL) 2009-02-26 — — WO disclosed
WO-2009024550-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. ORGANON (NL) 2009-02-26 — — 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-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES NPC1L1, NPC1, ABCB11 TP53 4778/4885SMN1; SMN2 4452/4885MAPT 3316/4885

“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.