SCHEMBL13699643

SCHEMBL13699643

C=C(C)C(=O)N1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(CN3CCNC[C@H]3C(C)C)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 9/20 0.39
CNR1 P21554 1/20 0.35
MC4R P32245 2/20 0.33
HTR2C P28335 2/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL13699617 0.88 MDM2 (0.40) MDM2CNR1MC4RHTR2CDRD2
SCHEMBL13699618 0.88 MDM2 (0.40) MDM2CNR1MC4RHTR2CDRD2
SCHEMBL13699615 0.81 MDM2 (0.39) MDM2CNR1MC4RHTR2C
SCHEMBL13699637 0.78 MDM2 (0.47) MDM2CNR1
SCHEMBL13699661 0.75 MDM2 (0.40) MDM2MC4RHTR2CDRD2DRD4
SCHEMBL13699636 0.72 MDM2 (0.38) MDM2MC4RHTR2CDRD2DRD4
SCHEMBL11958488 0.72 MDM2 (0.54) MDM2CNR1
SCHEMBL11958425 0.72 MDM2 (0.61) MDM2CNR1
SCHEMBL11957715 0.71 MDM2 (0.56) MDM2CNR1HPGD
SCHEMBL13699595 0.70 MDM2 (0.41) MDM2CNR1HTR2CDRD2DRD4

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 2997/4885CNR1 2/4885MC4R 712/4885

“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.