SCHEMBL1019239

SCHEMBL1019239

O=C(NC1CCC1)c1cccc(CN2CCNCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
CHRM3 P20309 6/20 0.56
FAAH O00519 1/20 0.56
MGLL Q99685 1/20 0.56
MCHR1 Q99705 2/20 0.55
CCR3 P51677 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
DRD4 P21917 4/20 0.54
SLC6A12 P48065 1/20 0.54
SLC6A13 Q9NSD5 1/20 0.54

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
SCHEMBL1021945 0.85 CHRM3 (0.53) KMT2ASIGMAR1CHRM3CCR3
SCHEMBL1021727 0.85 FAAH (0.62) KMT2ASIGMAR1FAAHMGLLMCHR1
SCHEMBL28744419 0.81 CYP2D6 (0.73) KMT2ASIGMAR1CHRM3
SCHEMBL12438436 0.79 CYP2D6 (0.71) SIGMAR1CHRM3
SCHEMBL18427103 0.79 ACACB (0.49) KMT2A
SCHEMBL1019576 0.79 USP30 (0.57) KMT2ASIGMAR1FAAHMGLLMCHR1
SCHEMBL6399782 0.78 L3MBTL1 (0.54) KMT2A
SCHEMBL1017905 0.78 CHRM3 (0.61) CHRM3
SCHEMBL3649875 0.78 CHRM3 (0.67) CHRM3
Hydrochloric Acid SCHEMBL1018725 0.77 CHRM3 (0.60) CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101848899-B As the N-benzyl of LXR conditioning agent, N '-aryl carbonyl bridged piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2016-03-02 CN 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
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
CN-101848899-A N-benzyl, n' -arylcarbonylpiperazine derivatives as lxr modulators ORGANON NV 2010-09-29 CN 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
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 KMT2A 4268/4885SIGMAR1 1876/4885CHRM3 3452/4885

“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.