SCHEMBL13699546

SCHEMBL13699546

CC(C)(C)C(=O)N1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(C(=O)N3CCNCC3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.43
HPGD P15428 2/20 0.42
NPY2R P49146 4/20 0.39
EIF4A3 P38919 5/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.37
USP2 O75604 2/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
RHEB Q15382 1/20 0.36

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
SCHEMBL13699622 0.87 HPGD (0.45) MDM2HPGDEIF4A3LMNAPOLB
SCHEMBL13699628 0.84 MDM2 (0.42) MDM2EIF4A3LMNAMAPK1
SCHEMBL13699626 0.84 MDM2 (0.42) MDM2EIF4A3LMNAMAPK1
SCHEMBL4168266 0.83 MDM2 (0.48) MDM2EIF4A3LMNAMAPK1
SCHEMBL4168260 0.83 MDM2 (0.48) MDM2EIF4A3LMNAMAPK1
SCHEMBL13699612 0.83 MDM2 (0.42) MDM2NPY2RLMNAMAPK1
SCHEMBL11957919 0.83 MDM2 (0.56) MDM2EIF4A3POLBGLA
SCHEMBL13699618 0.81 MDM2 (0.40) MDM2LMNAMAPK1
SCHEMBL13699617 0.81 MDM2 (0.40) MDM2LMNAMAPK1
SCHEMBL11958853 0.80 MDM2 (0.52) MDM2EIF4A3LMNAPOLB

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 2 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

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 2997/4885HPGD 2209/4885NPY2R 42/4885

“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.