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Sugi Predict / Compounds / SCHEMBL1019547

SCHEMBL1019547

SCHEMBL1019547

COc1ccc(C(=O)O)cc1CN1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.60
▸ ALDH1A1 P00352 7/20 0.56
▸ HTT P42858 2/20 0.56
▸ KDM4E B2RXH2 6/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ LMNA P02545 4/20 0.55
▸ MAPT P10636 2/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ FAAH O00519 2/20 0.53
▸ TP53 P04637 1/20 0.52
▸ HPGD P15428 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ POLB P06746 1/20 0.50

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
SCHEMBL1018754 0.93 HIF1A (0.63) NPC1ALDH1A1HTTKDM4EMEN1
SCHEMBL13944760 0.92 NPC1 (0.58) NPC1ALDH1A1HTTKDM4EMEN1
SCHEMBL12955000 0.89 NPC1 (0.55) NPC1ALDH1A1HTTKDM4EMEN1
Trifluoroacetic Acid SCHEMBL1019150 0.85 NPC1 (0.51) NPC1ALDH1A1HTTKDM4EMEN1
SCHEMBL1020428 0.80 LMNA (0.60) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12541529 0.77 NPC1 (0.82) NPC1ALDH1A1HTTKDM4EMEN1
SCHEMBL12954903 0.77 MAPT (0.60) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1021696 0.77 ALDH1A1 (0.61) NPC1ALDH1A1HTTKDM4EMEN1
Oxalic Acid SCHEMBL12541199 0.75 KDM4E (0.80) NPC1ALDH1A1HTTKDM4EMEN1
SCHEMBL3602510 0.74 FAAH (0.69) ALDH1A1KDM4EMEN1KMT2ALMNA

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-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
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
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

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 NPC1 2/4885ALDH1A1 1749/4885HTT 2073/4885

“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.