SCHEMBL13699634

SCHEMBL13699634

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 10/20 0.46
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
GPR183 P32249 1/20 0.37
EIF4A3 P38919 5/20 0.37
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
EGFR P00533 1/20 0.35

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
SCHEMBL13699637 0.91 MDM2 (0.47) MDM2EIF4A3EGFR
SCHEMBL4167201 0.84 MDM2 (0.47) MDM2ALDH1A1HPGDGPR183EIF4A3
SCHEMBL4167196 0.84 MDM2 (0.47) MDM2ALDH1A1HPGDGPR183EIF4A3
SCHEMBL13699635 0.84 MEN1 (0.41) MDM2EIF4A3
SCHEMBL13699648 0.82 MDM2 (0.41) MDM2
SCHEMBL13699661 0.82 MDM2 (0.40) MDM2ALDH1A1
SCHEMBL13699651 0.82 MDM2 (0.41) MDM2EIF4A3
SCHEMBL13699636 0.79 MDM2 (0.38) MDM2
SCHEMBL4168260 0.75 MDM2 (0.48) MDM2EIF4A3
SCHEMBL4168266 0.75 MDM2 (0.48) MDM2EIF4A3

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 2997/4885ALDH1A1 1066/4885HPGD 2209/4885

“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.