SCHEMBL13699618

SCHEMBL13699618

CC(C)[C@H]1CNCCN1Cc1ccc([C@@H]2CN(C(=O)C(C)(C)C)CCN2c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.40
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CNR1 P21554 1/20 0.35
MC4R P32245 6/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR2C P28335 2/20 0.32
MEN1 O00255 1/20 0.31
IDE P14735 1/20 0.31
KMT2A Q03164 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 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
SCHEMBL13699617 1.00 MDM2 (0.40) MDM2LMNAMAPK1CNR1MC4R
SCHEMBL13699615 0.93 MDM2 (0.39) MDM2LMNAMAPK1CNR1MC4R
SCHEMBL13699643 0.88 MDM2 (0.39) MDM2CNR1MC4RSLC6A2SLC6A4
SCHEMBL13699595 0.82 MDM2 (0.41) MDM2LMNAMAPK1CNR1HTR2C
SCHEMBL13699590 0.82 MDM2 (0.41) MDM2LMNAMAPK1CNR1HTR2C
SCHEMBL13699612 0.82 MDM2 (0.42) MDM2LMNAMAPK1CNR1MC4R
SCHEMBL13699614 0.82 MDM2 (0.43) MDM2LMNAMAPK1CNR1MEN1
SCHEMBL13699613 0.81 MDM2 (0.41) MDM2LMNAMAPK1CNR1DRD2
SCHEMBL13699546 0.81 MDM2 (0.43) MDM2LMNAMAPK1
SCHEMBL13699600 0.77 MDM2 (0.39) MDM2DRD2DRD4

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 3 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
WO-2007057687-A1 PIPERAZINE DERIVATIVES AND THEIR USE IN THERAPY VERNALIS (R & D) LIMITED (GB) 2007-05-24 WO 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 2997/4885LMNA 1997/4885MAPK1 1202/4885

“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.