SCHEMBL13699553

SCHEMBL13699553

CC(C)(C)C(=O)N1CCN(c2ccc(Cl)cc2F)[C@H](c2ccc(CC3CCNCC3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.42
CNR1 P21554 2/20 0.41
MC4R P32245 1/20 0.38
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
KDM1B Q8NB78 1/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP3A5 P20815 2/20 0.36
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL13699596 0.88 MDM2 (0.44) MDM2MC4RLMNAMAPK1CYP3A4
SCHEMBL13699592 0.87 MDM2 (0.43) MDM2CNR1KDM1AMAOBKDM1B
SCHEMBL4163929 0.86 MDM2 (0.42) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL13699589 0.85 MDM2 (0.41) MDM2MC4RLMNAMAPK1CYP3A4
SCHEMBL13699598 0.84 MDM2 (0.42) MDM2CNR1MC4RKDM1AMAOB
SCHEMBL13699593 0.84 MDM2 (0.42) MDM2CNR1MC4RKDM1AMAOB
SCHEMBL13699597 0.83 MDM2 (0.42) MDM2CNR1LMNAMAPK1CYP3A4
SCHEMBL13699595 0.82 MDM2 (0.41) MDM2CNR1LMNAMAPK1CYP3A4
SCHEMBL13699590 0.82 MDM2 (0.41) MDM2CNR1LMNAMAPK1CYP3A4
SCHEMBL13699581 0.82 MLNR (0.47) MDM2CYP3A4

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 2997/4885CNR1 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.