SCHEMBL13699661

SCHEMBL13699661

C=C(C)C(=O)N1CCN(c2ccc(Cl)cc2F)[C@H](c2ccc(C(C)N3CCNCC3)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 8/20 0.40
MDM4 O15151 2/20 0.33
HTR2C P28335 1/20 0.33
MC4R P32245 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
F10 P00742 3/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
MAPKAPK2 P49137 1/20 0.31

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
SCHEMBL13699636 0.97 MDM2 (0.38) MDM2MDM4HTR2CMC4RCHRM2
SCHEMBL13699630 0.87 CYP3A4 (0.41) MDM2MDM4HTR2CMC4RCHRM2
SCHEMBL13699551 0.84 CYP3A4 (0.39) MDM2HTR2CMC4RCHRM2CHRM1
SCHEMBL4154815 0.84 CYP3A4 (0.39) MDM2HTR2CMC4RCHRM2CHRM1
SCHEMBL13699634 0.82 MDM2 (0.46) MDM2ALDH1A1
SCHEMBL13699651 0.80 MDM2 (0.41) MDM2
SCHEMBL13699643 0.75 MDM2 (0.39) MDM2HTR2CMC4RDRD2DRD4
SCHEMBL13699648 0.73 MDM2 (0.41) MDM2
SCHEMBL13699637 0.73 MDM2 (0.47) MDM2
SCHEMBL4162059 0.73 MDM2 (0.45) MDM2MC4RALDH1A1

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 2997/4885MDM4 4600/4885HTR2C 18/4885

“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.