SCHEMBL4154819

SCHEMBL4154819

CC(C)(C)OC(=O)N1CCN(c2ccc(Cl)cc2)C(c2ccc(Br)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RORC P51449 2/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
STS P08842 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACHE P22303 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FPR2 P25090 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
FPR3 P25089 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
SCHEMBL19690344 0.88 CNR1 (0.45) CNR1MEN1KMT2ARORCNR1H2
SCHEMBL4177222 0.87 CNR1 (0.47) CNR1MEN1KMT2ASTSHDAC6
SCHEMBL38661618 0.87 MEN1 (0.46) CNR1MEN1KMT2ASTSHDAC6
SCHEMBL4160826 0.85 RIPK1 (0.44) MEN1KMT2AACHE
SCHEMBL4160818 0.85 RIPK1 (0.44) MEN1KMT2AACHE
SCHEMBL4168342 0.85 ACHE (0.40) MEN1KMT2ASMN1; SMN2ACHE
SCHEMBL4168348 0.85 ACHE (0.40) MEN1KMT2ASMN1; SMN2ACHE
SCHEMBL13699555 0.83 HTT (0.52) CNR1MEN1KMT2ASTSNPSR1
SCHEMBL4163959 0.83 NR1D1 (0.46) CNR1MEN1KMT2ASTSHDAC6
SCHEMBL13699638 0.81 SMN1; SMN2 (0.49) CNR1MEN1KMT2ASTSNPSR1

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-20090221582-A1 Piperazine Derivatives And Their Use In Therapy VERNALIS (R&D) (GB) 2009-09-03 US disclosed
EP-1960391-A1 PIPERAZINE DERIVATIVES AND THEIR USE IN THERAPY Vernalis (R&D) Limited (GB) 2008-08-27 EP disclosed
WO-2007057687-A1 PIPERAZINE DERIVATIVES AND THEIR USE IN THERAPY VERNALIS (R & D) LIMITED (GB) 2007-05-24 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-20090221582-A1 Piperazine Derivatives And Their Use In Therapy CNR2, CNR1, ALK CNR1 2/4885MEN1 1455/4885KMT2A 1254/4885

“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.