SCHEMBL13699636

SCHEMBL13699636

C=C(C)C(=O)N1CCN(c2ccc(Cl)cc2F)[C@H](c2ccc(C(C)N3CCCNCC3)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.38
F10 P00742 3/20 0.34
MDM4 O15151 2/20 0.32
HTR2C P28335 1/20 0.32
MC4R P32245 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CCR1 P32246 1/20 0.30
CCR2 P41597 1/20 0.30

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
SCHEMBL13699661 0.97 MDM2 (0.40) MDM2F10MDM4HTR2CMC4R
SCHEMBL13699551 0.88 CYP3A4 (0.39) MDM2F10HTR2CMC4RCHRM2
SCHEMBL4154815 0.88 CYP3A4 (0.39) MDM2F10HTR2CMC4RCHRM2
SCHEMBL13699630 0.84 CYP3A4 (0.41) MDM2F10MDM4HTR2CMC4R
SCHEMBL13699634 0.79 MDM2 (0.46) MDM2
SCHEMBL13699651 0.77 MDM2 (0.41) MDM2
SCHEMBL4154817 0.76 F10 (0.34) F10MC4RCHRM2CHRM1
SCHEMBL13699643 0.72 MDM2 (0.39) MDM2HTR2CMC4RDRD2DRD4
SCHEMBL13699589 0.72 MDM2 (0.41) MDM2MC4RCHRM2CHRM1CCR2
SCHEMBL13699648 0.71 MDM2 (0.41) MDM2HDAC1

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 MDM2 2997/4885F10 4002/4885MDM4 4600/4885

“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.