SCHEMBL1019797

SCHEMBL1019797

CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(NC(=O)NC4CCC4)c(F)c3F)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
ACKR3 P25106 12/20 0.42
UBE2M P61081 2/20 0.41
DCUN1D1 Q96GG9 2/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
Hydrochloric Acid SCHEMBL1019762 0.99 FAAH (0.44) FAAHMGLLACKR3UBE2MDCUN1D1
SCHEMBL1019654 0.89 ACKR3 (0.44) FAAHMGLLACKR3ALDH1A1KDM4E
SCHEMBL1018507 0.88 ACKR3 (0.46) FAAHMGLLACKR3UBE2MDCUN1D1
SCHEMBL1019828 0.88 HTT (0.45) ACKR3ALDH1A1KMT2AKDM4EHTT
SCHEMBL1019900 0.86 ALDH1A1 (0.42) FAAHMGLLACKR3ALDH1A1KMT2A
SCHEMBL1019704 0.85 KDM4E (0.41) FAAHACKR3ALDH1A1KMT2AKDM4E
SCHEMBL1019392 0.85 ACKR3 (0.46) FAAHMGLLACKR3KMT2ASIGMAR1
SCHEMBL1019794 0.84 MAPK1 (0.41) ACKR3ALDH1A1KMT2AKDM4EHTT
SCHEMBL1019822 0.84 KDM4E (0.40) FAAHACKR3ALDH1A1KMT2AKDM4E
SCHEMBL12954974 0.84 DRD2 (0.47) FAAHMGLLACKR3UBE2MDCUN1D1

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 8 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 claimed
EP-2190827-B1 N-BENZYL-N'-ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS ORGANON NV (NL) 2011-01-12 EP claimed
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
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 FAAH 1599/4885MGLL 745/4885ACKR3 1939/4885

“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.