SCHEMBL4168348

SCHEMBL4168348

CC(Cl)OC(=O)N1CCN(c2ccc(Cl)cc2)[C@H](c2ccc(Br)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
MDM2 Q00987 7/20 0.39
EIF4A3 P38919 9/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4168342 1.00 ACHE (0.40) ACHEMDM2EIF4A3MEN1KMT2A
SCHEMBL4154819 0.85 CNR1 (0.48) ACHEMEN1KMT2ASMN1; SMN2
SCHEMBL4160818 0.81 RIPK1 (0.44) ACHEMDM2EIF4A3MEN1KMT2A
SCHEMBL4160826 0.81 RIPK1 (0.44) ACHEMDM2EIF4A3MEN1KMT2A
SCHEMBL13699635 0.80 MEN1 (0.41) ACHEMDM2EIF4A3MEN1KMT2A
SCHEMBL4168346 0.78 NR1H2 (0.48) ACHEEIF4A3MEN1KMT2ASMN1; SMN2
SCHEMBL11958336 0.74 CNR1 (0.47) MDM2EIF4A3
SCHEMBL19690344 0.73 CNR1 (0.45) MDM2MEN1KMT2ARXFP1
SCHEMBL4177222 0.72 CNR1 (0.47) MDM2MEN1KMT2ASMN1; SMN2
SCHEMBL38661618 0.72 MEN1 (0.46) MDM2MEN1KMT2ASMN1; 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 5 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
US-20090221582-A1 Piperazine Derivatives And Their Use In Therapy VERNALIS (R&D) (GB) 2009-09-03 US disclosed
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 ACHE 3470/4885MDM2 2997/4885EIF4A3 3668/4885

“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.