SCHEMBL1017858

SCHEMBL1017858

O=C(NC1CC(F)(F)C1)c1cccc(CN2CCN(C(=O)O)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
SIGMAR1 Q99720 2/20 0.52
FAAH O00519 1/20 0.50
MGLL Q99685 1/20 0.50
KDM1A O60341 1/20 0.48
CCR3 P51677 2/20 0.48
TMEM97 Q5BJF2 2/20 0.48
DRD4 P21917 2/20 0.48
DRD2 P14416 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HIF1A Q16665 1/20 0.48
MCHR1 Q99705 4/20 0.47
SLC6A12 P48065 2/20 0.47
SLC6A13 Q9NSD5 1/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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 0.86 CHRM3 (0.53) KMT2ASIGMAR1KDM1ACCR3
SCHEMBL1021727 0.85 FAAH (0.62) KMT2ASIGMAR1FAAHMGLLCCR3
SCHEMBL12955010 0.85 USP30 (0.48) KMT2ASIGMAR1FAAHMGLLKDM1A
SCHEMBL1020330 0.83 MEN1 (0.47) KMT2AFAAHMGLLKDM1ACCR3
SCHEMBL4838001 0.80 CYP2D6 (0.73) KMT2AFAAHMGLLKDM1ACYP2D6
SCHEMBL31310223 0.79 KDM1A (0.55) KMT2ASIGMAR1KDM1ADRD4DRD2
SCHEMBL1019474 0.78 KDM1A (0.56) KMT2ASIGMAR1KDM1ADRD4DRD2
SCHEMBL1020791 0.76 KDM1A (0.43) KMT2AFAAHMGLLKDM1ACCR3
SCHEMBL1021644 0.76 PKM (0.56) KMT2AFAAHMGLLCYP2D6CYP2C9
SCHEMBL7038584 0.75 SMN1; SMN2 (0.59) KMT2AFAAHMGLLCYP2D6CYP2C9

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 5 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
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
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 1876/4885FAAH 1599/4885

“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.