SCHEMBL13699635

SCHEMBL13699635

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MDM2 Q00987 8/20 0.41
EIF4A3 P38919 10/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL13699645 0.86 MEN1 (0.43) MEN1KMT2AMDM2ACHE
SCHEMBL13699633 0.86 AKR1C3 (0.48) MEN1KMT2AMDM2
SCHEMBL13699637 0.85 MDM2 (0.47) MDM2EIF4A3
SCHEMBL13699634 0.84 MDM2 (0.46) MDM2EIF4A3
SCHEMBL13699641 0.84 AKR1C3 (0.50) MEN1KMT2AMDM2
SCHEMBL4160826 0.83 RIPK1 (0.44) MEN1KMT2ARXFP1MDM2EIF4A3
SCHEMBL4160818 0.83 RIPK1 (0.44) MEN1KMT2ARXFP1MDM2EIF4A3
SCHEMBL13699657 0.82 MDM2 (0.44) KMT2AMDM2EIF4A3
SCHEMBL13699644 0.81 AKR1C3 (0.49)
SCHEMBL13699638 0.81 SMN1; SMN2 (0.49) MEN1KMT2A

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 1 patent. 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

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 MEN1 1455/4885KMT2A 1254/4885RXFP1 217/4885

“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.