SCHEMBL1020194

SCHEMBL1020194

CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(NC(=O)CC4CCCC4)c(F)c3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 7/20 0.44
ALDH1A1 P00352 2/20 0.43
TACR2 P21452 1/20 0.42
TACR1 P25103 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL1020034 0.88 ACKR3 (0.50) ACKR3
SCHEMBL1019694 0.88 HTT (0.44) ACKR3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3688230 0.86 ACKR3 (0.51) ACKR3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1020415 0.86 HTT (0.46) ACKR3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1018507 0.86 ACKR3 (0.46) ACKR3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1019141 0.85 ACKR3 (0.43) ACKR3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1019490 0.84 ALDH1A1 (0.50) ACKR3ALDH1A1MEN1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL1020248 0.83 PRKAB2 (0.48) ACKR3MEN1KMT2A
SCHEMBL1072854 0.83 ACKR3 (0.42) ACKR3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1019162 0.83 MEN1 (0.44) ACKR3ALDH1A1MEN1KMT2ASMN1; SMN2

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 3 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
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 US 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 ACKR3 1939/4885ALDH1A1 1749/4885TACR2 2890/4885

“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.