SCHEMBL1021945

SCHEMBL1021945

O=C(NC1CC(F)(F)C1)c1cccc(CN2CCNCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.53
KMT2A Q03164 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
KDM1A O60341 1/20 0.49
CCR3 P51677 1/20 0.49
PRMT5 O14744 1/20 0.48

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
SCHEMBL1017858 0.86 KMT2A (0.52) KMT2ASIGMAR1KDM1ACCR3
SCHEMBL1019239 0.85 KMT2A (0.58) CHRM3KMT2ASIGMAR1CCR3
SCHEMBL12955010 0.80 USP30 (0.48) KMT2ASIGMAR1KDM1ACCR3
SCHEMBL1019474 0.78 KDM1A (0.56) KMT2ASIGMAR1KDM1A
SCHEMBL28744419 0.78 CYP2D6 (0.73) CHRM3KMT2ASIGMAR1KDM1A
SCHEMBL1020330 0.78 MEN1 (0.47) CHRM3KMT2AKDM1ACCR3
SCHEMBL31310223 0.77 KDM1A (0.55) KMT2ASIGMAR1KDM1A
SCHEMBL12438436 0.77 CYP2D6 (0.71) CHRM3SIGMAR1KDM1A
SCHEMBL1017905 0.75 CHRM3 (0.61) CHRM3PRMT5
SCHEMBL1020291 0.75 CHRM3 (0.61) CHRM3PRMT5

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 CHRM3 3452/4885KMT2A 4268/4885SIGMAR1 1876/4885

“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.